4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

C204H256Cl4F27NO3 — CID 158888783

IUPAC4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1cc(Cl)ccc1C(C)F.CC(C)c1cc(F)ccc1C(F)(F)F.CC(C)c1cc(F)ccc1C(F)F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(Cl)cc1C(C)F.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1C(C)F.CC(C)c1cccc(F)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1ccccc1C(C)F.CC(C)c1ccccc1C(F)F.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)F.Cc1c(F)cccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C13H19NO.2C11H14ClF.C11H14F2.C11H15F.2C10H13Cl.C10H10F4.C10H11F3O.2C10H11F3.C10H12F2O.C10H12F2.2C10H13F.2C10H14.3C9H11F/c1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-7(2)11-6-9(12)4-5-10(11)8(3)13;1-7(2)10-5-4-9(12)6-11(10)8(3)13;1-7(2)10-5-4-9(13)6-11(10)8(3)12;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-5-7(11)3-4-9(8)10(12,13)14;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-5-4-6-10(11)8(9)3;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10/h3-5,10-11H,6-9H2,1-2H3;3*4-8H,1-3H3;4-9H,1-3H3;2*4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-6,10H,1-2H3;3-7,10H,1-2H3;3-7,10H,1-2H3;2*4-7H,1-3H3;2*4-8H,1-3H3;3*3-7H,1-2H3
InChIKeyJDYOIQVTJBFYSX-UHFFFAOYSA-N
MW3425.05 g/mol
LogP71.15
Rot. Bonds30

About 4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 158888783) has the molecular formula C204H256Cl4F27NO3 and a molecular weight of 3425.05 g/mol. Its IUPAC name is 4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID158888783
Molecular FormulaC204H256Cl4F27NO3
Molecular Weight3425.05 g/mol
Exact Mass3420.82
IUPAC Name4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1cc(Cl)ccc1C(C)F.CC(C)c1cc(F)ccc1C(F)(F)F.CC(C)c1cc(F)ccc1C(F)F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(Cl)cc1C(C)F.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1C(C)F.CC(C)c1cccc(F)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1ccccc1C(C)F.CC(C)c1ccccc1C(F)F.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)F.Cc1c(F)cccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C13H19NO.2C11H14ClF.C11H14F2.C11H15F.2C10H13Cl.C10H10F4.C10H11F3O.2C10H11F3.C10H12F2O.C10H12F2.2C10H13F.2C10H14.3C9H11F/c1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-7(2)11-6-9(12)4-5-10(11)8(3)13;1-7(2)10-5-4-9(12)6-11(10)8(3)13;1-7(2)10-5-4-9(13)6-11(10)8(3)12;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-5-7(11)3-4-9(8)10(12,13)14;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-5-4-6-10(11)8(9)3;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10/h3-5,10-11H,6-9H2,1-2H3;3*4-8H,1-3H3;4-9H,1-3H3;2*4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-6,10H,1-2H3;3-7,10H,1-2H3;3-7,10H,1-2H3;2*4-7H,1-3H3;2*4-8H,1-3H3;3*3-7H,1-2H3
InChIKeyJDYOIQVTJBFYSX-UHFFFAOYSA-N
XLogP71.15
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms239
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003425.05
LogP ≤ 571.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 158888783) is 4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)c1cc(Cl)ccc1C(C)F.CC(C)c1cc(F)ccc1C(F)(F)F.CC(C)c1cc(F)ccc1C(F)F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(Cl)cc1C(C)F.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1C(C)F.CC(C)c1cccc(F)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1ccccc1C(C)F.CC(C)c1ccccc1C(F)F.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)F.Cc1c(F)cccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of 4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is JDYOIQVTJBFYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.2C11H14ClF.C11H14F2.C11H15F.2C10H13Cl.C10H10F4.C10H11F3O.2C10H11F3.C10H12F2O.C10H12F2.2C10H13F.2C10H14.3C9H11F/c1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-7(2)11-6-9(12)4-5-10(11)8(3)13;1-7(2)10-5-4-9(12)6-11(10)8(3)13;1-7(2)10-5-4-9(13)6-11(10)8(3)12;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-5-7(11)3-4-9(8)10(12,13)14;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-5-4-6-10(11)8(9)3;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10/h3-5,10-11H,6-9H2,1-2H3;3*4-8H,1-3H3;4-9H,1-3H3;2*4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-6,10H,1-2H3;3-7,10H,1-2H3;3-7,10H,1-2H3;2*4-7H,1-3H3;2*4-8H,1-3H3;3*3-7H,1-2H3.
What are the key properties of 4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 3425.05 g/mol, XLogP of 71.15, 30 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 158888783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).