3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol

C8H14F2O2 — CID 66602553

IUPAC3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol
SMILESCC(O)C1(O)CCCC(F)(F)C1
InChIInChI=1S/C8H14F2O2/c1-6(11)7(12)3-2-4-8(9,10)5-7/h6,11-12H,2-5H2,1H3
InChIKeyQRLFSCKFEHMZBE-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.31
Rot. Bonds1

About 3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol

3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol (PubChem CID 66602553) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol
PubChem CID66602553
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol
SMILESCC(O)C1(O)CCCC(F)(F)C1
InChIInChI=1S/C8H14F2O2/c1-6(11)7(12)3-2-4-8(9,10)5-7/h6,11-12H,2-5H2,1H3
InChIKeyQRLFSCKFEHMZBE-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol?
The IUPAC name of 3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol (CID 66602553) is 3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol.
What is the SMILES notation for 3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol?
The canonical SMILES for 3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol is CC(O)C1(O)CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol?
The InChIKey is QRLFSCKFEHMZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-6(11)7(12)3-2-4-8(9,10)5-7/h6,11-12H,2-5H2,1H3.
What are the key properties of 3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol?
3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol has a molecular weight of 180.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol is sourced from PubChem (CID 66602553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).