1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane

C109H164F10N2O2S — CID 157167380

IUPAC1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane
SMILESC.C.C.CC(C)(C)c1cc(F)cc(C(C)(F)F)c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ncc(C(C)(F)F)s1.CC(C)Oc1cccc(C(C)(C)C)c1.CC(C)c1cccc(C(C)(C)C)c1.CC(F)(F)Oc1cccc(C(C)(C)C)c1.CCc1cccc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C14H22.C13H20O.C13H20.C12H15F3.C12H16F2O.C12H18.C11H13F3.C10H15N.C9H13F2NS.3CH4/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-10(2)14-12-8-6-7-11(9-12)13(3,4)5;1-10(2)11-7-6-8-12(9-11)13(3,4)5;1-11(2,3)8-5-9(12(4,14)15)7-10(13)6-8;1-11(2,3)9-6-5-7-10(8-9)15-12(4,13)14;1-5-10-7-6-8-11(9-10)12(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-5-6-11-9(7-8)10(2,3)4;1-8(2,3)7-12-5-6(13-7)9(4,10)11;;;/h7-10H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;5-7H,1-4H3;5-8H,1-4H3;6-9H,5H2,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5H,1-4H3;3*1H4
InChIKeyANBMOUOYZCSZLR-UHFFFAOYSA-N
MW1756.57 g/mol
LogP36.07
Rot. Bonds8

About 1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane

1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane (PubChem CID 157167380) has the molecular formula C109H164F10N2O2S and a molecular weight of 1756.57 g/mol. Its IUPAC name is 1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane.

Molecular Properties

Compound Name1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane
PubChem CID157167380
Molecular FormulaC109H164F10N2O2S
Molecular Weight1756.57 g/mol
Exact Mass1755.24
IUPAC Name1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane
SMILESC.C.C.CC(C)(C)c1cc(F)cc(C(C)(F)F)c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ncc(C(C)(F)F)s1.CC(C)Oc1cccc(C(C)(C)C)c1.CC(C)c1cccc(C(C)(C)C)c1.CC(F)(F)Oc1cccc(C(C)(C)C)c1.CCc1cccc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C14H22.C13H20O.C13H20.C12H15F3.C12H16F2O.C12H18.C11H13F3.C10H15N.C9H13F2NS.3CH4/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-10(2)14-12-8-6-7-11(9-12)13(3,4)5;1-10(2)11-7-6-8-12(9-11)13(3,4)5;1-11(2,3)8-5-9(12(4,14)15)7-10(13)6-8;1-11(2,3)9-6-5-7-10(8-9)15-12(4,13)14;1-5-10-7-6-8-11(9-10)12(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-5-6-11-9(7-8)10(2,3)4;1-8(2,3)7-12-5-6(13-7)9(4,10)11;;;/h7-10H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;5-7H,1-4H3;5-8H,1-4H3;6-9H,5H2,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5H,1-4H3;3*1H4
InChIKeyANBMOUOYZCSZLR-UHFFFAOYSA-N
XLogP36.07
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001756.57
LogP ≤ 536.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane with MolForge

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Related Compounds

2-(4-Phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole
CID 177379297
2-[1-[3,4-Bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-5-[(2-fluorophenyl)methyl]-1,3-thiazole
CID 69556420
2-(2,6-Difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole
CID 141015358
2-[2-Methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine;2-methyl-5-phenyl-4-prop-1-en-2-yl-1,3-thiazole
CID 142536164
2-[4-(4-Ethoxy-3-methylphenyl)butyl]-4-(6-fluoro-3-pyridinyl)-5-(4-phenylphenyl)-1,3-thiazole
CID 143147297
2-[6-[4-[Difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-pyridinyl]-6-methyl-1,3-benzothiazole
CID 146335404
2-[4-[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-6-(5-methyl-2-pyridinyl)-1,3-benzothiazole
CID 146335535
2-[[2-[2-[1-(2,2-Dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole
CID 147265980
2-[[4-Pentoxy-3-(trifluoromethyl)phenyl]methyl]-4-pyridin-4-yl-1,3-thiazole
CID 157293755
2-[[4-Octoxy-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-3-yl-1,3-thiazole
CID 157294389
3-[3-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine
CID 157630816
CID 157636625
CID 157636625

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane?
The IUPAC name of 1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane (CID 157167380) is 1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane.
What is the SMILES notation for 1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane?
The canonical SMILES for 1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane is C.C.C.CC(C)(C)c1cc(F)cc(C(C)(F)F)c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ncc(C(C)(F)F)s1.CC(C)Oc1cccc(C(C)(C)C)c1.CC(C)c1cccc(C(C)(C)C)c1.CC(F)(F)Oc1cccc(C(C)(C)C)c1.CCc1cccc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane?
The InChIKey is ANBMOUOYZCSZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C13H20O.C13H20.C12H15F3.C12H16F2O.C12H18.C11H13F3.C10H15N.C9H13F2NS.3CH4/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-10(2)14-12-8-6-7-11(9-12)13(3,4)5;1-10(2)11-7-6-8-12(9-11)13(3,4)5;1-11(2,3)8-5-9(12(4,14)15)7-10(13)6-8;1-11(2,3)9-6-5-7-10(8-9)15-12(4,13)14;1-5-10-7-6-8-11(9-10)12(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-5-6-11-9(7-8)10(2,3)4;1-8(2,3)7-12-5-6(13-7)9(4,10)11;;;/h7-10H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;5-7H,1-4H3;5-8H,1-4H3;6-9H,5H2,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5H,1-4H3;3*1H4.
What are the key properties of 1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane?
1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane has a molecular weight of 1756.57 g/mol, XLogP of 36.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane is sourced from PubChem (CID 157167380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).