3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol

C10H12F8O — CID 20781754

IUPAC3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CC(O)(C(F)(F)F)C(F)(F)C(C(C)(F)F)C1F
InChIInChI=1S/C10H12F8O/c1-4-3-8(19,10(16,17)18)9(14,15)6(5(4)11)7(2,12)13/h4-6,19H,3H2,1-2H3
InChIKeyAFFYLGDGENLRKT-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.56
Rot. Bonds1

About 3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol

3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 20781754) has the molecular formula C10H12F8O and a molecular weight of 300.19 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID20781754
Molecular FormulaC10H12F8O
Molecular Weight300.19 g/mol
Exact Mass300.08
IUPAC Name3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CC(O)(C(F)(F)F)C(F)(F)C(C(C)(F)F)C1F
InChIInChI=1S/C10H12F8O/c1-4-3-8(19,10(16,17)18)9(14,15)6(5(4)11)7(2,12)13/h4-6,19H,3H2,1-2H3
InChIKeyAFFYLGDGENLRKT-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol with MolForge

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Related Compounds

1-Methyl-3-(2-methylpropyl)cyclohexanol
CID 22476645
2-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 61644687
1,3-Bis(1,1,2,3,3,3-hexafluoropropyl)-1,3-cyclohexanediol
CID 10693221
9,9,9-Trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol
CID 23272476
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclohexan-1-ol
CID 101874589
1,1,1,3,3,3-Hexafluoro-2-cyclohexyl-2-propanol
CID 11149363
2,2'-(1,4-Cyclohexanediyl)bis(1,1,1,3,3,3-hexafluoro-2-propanol)
CID 13876330
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Heptadecafluoro-5-methyltridecan-5-ol
CID 13928892
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-3-methylundecan-3-ol
CID 13928896
1-Methyl-3-(trifluoromethyl)cyclohexan-1-ol
CID 18336101
1,1,1,3,3,3-Hexafluoro-2-[1,2,2,3,6,6-hexafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol
CID 20743869
1,1,1,3,3,3-Hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol
CID 20743870

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol (CID 20781754) is 3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol is CC1CC(O)(C(F)(F)F)C(F)(F)C(C(C)(F)F)C1F.
What is the InChIKey of 3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is AFFYLGDGENLRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8O/c1-4-3-8(19,10(16,17)18)9(14,15)6(5(4)11)7(2,12)13/h4-6,19H,3H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol?
3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 300.19 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 20781754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).