4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine

C218H301Cl3F21NOS4 — CID 160868134

IUPAC4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(C)(F)F)c1.CC(C)(C)c1cccc(C(C)(F)F)c1.CC(C)(C)c1cccc(C(F)(F)F)c1F.CC(C)(C)c1ccnc(C(F)(F)F)c1.CC(F)Oc1cc(C(C)(C)C)ccc1Cl.CC(F)c1cc(C(C)(C)C)ccc1Cl.CC(F)c1cc(C(C)(C)C)ccc1F.CC(F)c1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)sc1C.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)(C)C)s1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H16ClFO.C12H16ClF.3C12H16F2.C12H17F.C12H18.C11H15Cl.C11H12F4.4C11H15F.C11H16.C10H12F3N.C10H13F.C10H16S.3C9H14S/c1-8(14)15-11-7-9(12(2,3)4)5-6-10(11)13;1-8(14)10-7-9(12(2,3)4)5-6-11(10)13;1-8(13)10-7-9(12(2,3)4)5-6-11(10)14;2*1-11(2,3)9-6-5-7-10(8-9)12(4,13)14;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-6-7-11(8-10(9)2)12(3,4)5;1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)7-5-4-6-8(9(7)12)11(13,14)15;1-8-5-9(11(2,3)4)7-10(12)6-8;2*1-8-7-9(11(2,3)4)5-6-10(8)12;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-7-6-9(10(3,4)5)11-8(7)2;3*1-7-5-6-8(10-7)9(2,3)4/h5-8H,1-4H3;4*5-8H,1-4H3;5-9H,1-4H3;6-8H,1-5H3;5-7H,1-4H3;4-6H,1-3H3;4*5-7H,1-4H3;5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;6H,1-5H3;3*5-6H,1-4H3
InChIKeySLKCDIPFJVOCLM-UHFFFAOYSA-N
MW3585.40 g/mol
LogP74.31
Rot. Bonds7

About 4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine

4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine (PubChem CID 160868134) has the molecular formula C218H301Cl3F21NOS4 and a molecular weight of 3585.40 g/mol. Its IUPAC name is 4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine
PubChem CID160868134
Molecular FormulaC218H301Cl3F21NOS4
Molecular Weight3585.40 g/mol
Exact Mass3581.11
IUPAC Name4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(C)(F)F)c1.CC(C)(C)c1cccc(C(C)(F)F)c1.CC(C)(C)c1cccc(C(F)(F)F)c1F.CC(C)(C)c1ccnc(C(F)(F)F)c1.CC(F)Oc1cc(C(C)(C)C)ccc1Cl.CC(F)c1cc(C(C)(C)C)ccc1Cl.CC(F)c1cc(C(C)(C)C)ccc1F.CC(F)c1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)sc1C.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)(C)C)s1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H16ClFO.C12H16ClF.3C12H16F2.C12H17F.C12H18.C11H15Cl.C11H12F4.4C11H15F.C11H16.C10H12F3N.C10H13F.C10H16S.3C9H14S/c1-8(14)15-11-7-9(12(2,3)4)5-6-10(11)13;1-8(14)10-7-9(12(2,3)4)5-6-11(10)13;1-8(13)10-7-9(12(2,3)4)5-6-11(10)14;2*1-11(2,3)9-6-5-7-10(8-9)12(4,13)14;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-6-7-11(8-10(9)2)12(3,4)5;1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)7-5-4-6-8(9(7)12)11(13,14)15;1-8-5-9(11(2,3)4)7-10(12)6-8;2*1-8-7-9(11(2,3)4)5-6-10(8)12;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-7-6-9(10(3,4)5)11-8(7)2;3*1-7-5-6-8(10-7)9(2,3)4/h5-8H,1-4H3;4*5-8H,1-4H3;5-9H,1-4H3;6-8H,1-5H3;5-7H,1-4H3;4-6H,1-3H3;4*5-7H,1-4H3;5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;6H,1-5H3;3*5-6H,1-4H3
InChIKeySLKCDIPFJVOCLM-UHFFFAOYSA-N
XLogP74.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms248
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003585.40
LogP ≤ 574.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

1-(Cyclohexylmethylidene)-4-propan-2-ylcyclohexane;2,4-dichloro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexylidene)methyl]benzene;1-(2,2-dimethylpropylidene)-4-propan-2-ylcyclohexane;1-(2-ethylbutylidene)-4-propan-2-ylcyclohexane;1-(2-methylpropylidene)-4-propan-2-ylcyclohexane;4-[(4-propan-2-ylcyclohexylidene)methyl]oxane;2-[(4-propan-2-ylcyclohexylidene)methyl]pyridine;3-[(4-propan-2-ylcyclohexylidene)methyl]pyridine;4-[(4-propan-2-ylcyclohexylidene)methyl]pyridine;2-[(4-propan-2-ylcyclohexylidene)methyl]thiophene;3-[(4-propan-2-ylcyclohexylidene)methyl]thiophene;1-[(4-propan-2-ylcyclohexylidene)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexylidene)methyl]-4-(trifluoromethoxy)benzene;(4-propan-2-ylcyclohexyl)methylbenzene
CID 157470957
1-Tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-2-chloro-4-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chlorothiophene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;2-tert-butylthiophene;1-tert-butyl-3-(trifluoromethyl)benzene;toluene
CID 157790726
CID 158375910
CID 158375910
CID 161724564
CID 161724564
1-Tert-butyl-4-chlorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-5-fluoro-2-methoxypyridine;tris(2-tert-butyl-1-fluoro-4-methylbenzene);4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-5-methylthiophene
CID 161438150
1-Tert-butyl-2-chlorocyclopenta-1,3-diene;1-tert-butyl-4-chloro-2-fluorobenzene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);2-tert-butyl-3,5-dimethylthiophene;tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;bis(2-tert-butyl-5-methylthiophene)
CID 161657665
1-Chloro-3-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-methyl-3-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-chloro-1-methyl-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-difluoro-4-methyl-3-propan-2-ylbenzene;bis(1,3-difluoro-2-methyl-4-propan-2-ylbenzene);2,5-difluoro-1-methyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-ethynyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-3-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 165093439

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine (CID 160868134) is 4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine is CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(C)(F)F)c1.CC(C)(C)c1cccc(C(C)(F)F)c1.CC(C)(C)c1cccc(C(F)(F)F)c1F.CC(C)(C)c1ccnc(C(F)(F)F)c1.CC(F)Oc1cc(C(C)(C)C)ccc1Cl.CC(F)c1cc(C(C)(C)C)ccc1Cl.CC(F)c1cc(C(C)(C)C)ccc1F.CC(F)c1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)sc1C.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)(C)C)s1.Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine?
The InChIKey is SLKCDIPFJVOCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO.C12H16ClF.3C12H16F2.C12H17F.C12H18.C11H15Cl.C11H12F4.4C11H15F.C11H16.C10H12F3N.C10H13F.C10H16S.3C9H14S/c1-8(14)15-11-7-9(12(2,3)4)5-6-10(11)13;1-8(14)10-7-9(12(2,3)4)5-6-11(10)13;1-8(13)10-7-9(12(2,3)4)5-6-11(10)14;2*1-11(2,3)9-6-5-7-10(8-9)12(4,13)14;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-6-7-11(8-10(9)2)12(3,4)5;1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)7-5-4-6-8(9(7)12)11(13,14)15;1-8-5-9(11(2,3)4)7-10(12)6-8;2*1-8-7-9(11(2,3)4)5-6-10(8)12;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-7-6-9(10(3,4)5)11-8(7)2;3*1-7-5-6-8(10-7)9(2,3)4/h5-8H,1-4H3;4*5-8H,1-4H3;5-9H,1-4H3;6-8H,1-5H3;5-7H,1-4H3;4-6H,1-3H3;4*5-7H,1-4H3;5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;6H,1-5H3;3*5-6H,1-4H3.
What are the key properties of 4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine?
4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine has a molecular weight of 3585.40 g/mol, XLogP of 74.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-chloro-2-(1-fluoroethoxy)benzene;4-tert-butyl-1-chloro-2-(1-fluoroethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;bis(1-tert-butyl-3-(1,1-difluoroethyl)benzene);4-tert-butyl-1,2-dimethylbenzene;5-tert-butyl-2,3-dimethylthiophene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-(1-fluoroethyl)benzene;4-tert-butyl-1-fluoro-2-(1-fluoroethyl)benzene;1-tert-butyl-3-fluoro-5-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylthiophene);4-tert-butyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160868134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).