3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol

C12H18F4O — CID 23534734

IUPAC3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol
SMILESOC1CCC(C2CC(F)C(F)C(F)C2)C(F)C1
InChIInChI=1S/C12H18F4O/c13-9-5-7(17)1-2-8(9)6-3-10(14)12(16)11(15)4-6/h6-12,17H,1-5H2
InChIKeyXFPQBXOBEJIDBA-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.91
Rot. Bonds1

About 3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol

3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol (PubChem CID 23534734) has the molecular formula C12H18F4O and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol
PubChem CID23534734
Molecular FormulaC12H18F4O
Molecular Weight254.27 g/mol
Exact Mass254.13
IUPAC Name3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol
SMILESOC1CCC(C2CC(F)C(F)C(F)C2)C(F)C1
InChIInChI=1S/C12H18F4O/c13-9-5-7(17)1-2-8(9)6-3-10(14)12(16)11(15)4-6/h6-12,17H,1-5H2
InChIKeyXFPQBXOBEJIDBA-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol
CID 70887654
3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol
CID 88928391
5-[4-(4-ethylcyclohexyl)-2-fluorocyclohexyl]-1,2,3-trifluorocyclohexane
CID 88960394
5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane
CID 176797503
CID 161322570
CID 161322570
1,2,3-trifluoro-5-[2-fluoro-4-(4-methylheptyl)cyclohexyl]cyclohexane
CID 88850023
1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane
CID 89198348
2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluoro-5-[(4R)-2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 118191105
4,5-difluorocycloheptan-1-ol
CID 155001040
7-fluorobicyclo[2.2.1]heptan-2-ol
CID 130149072
8-fluorobicyclo[3.2.1]octan-3-ol
CID 119053665
1,3-difluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-2-iodocyclohexane
CID 118887189

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol?
The IUPAC name of 3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol (CID 23534734) is 3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol is OC1CCC(C2CC(F)C(F)C(F)C2)C(F)C1.
What is the InChIKey of 3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol?
The InChIKey is XFPQBXOBEJIDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4O/c13-9-5-7(17)1-2-8(9)6-3-10(14)12(16)11(15)4-6/h6-12,17H,1-5H2.
What are the key properties of 3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol?
3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol has a molecular weight of 254.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 23534734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).