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

C9H16F2O2 — CID 66602542

IUPAC3,3-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol
SMILESCCC(O)C1(O)CCCC(F)(F)C1
InChIInChI=1S/C9H16F2O2/c1-2-7(12)8(13)4-3-5-9(10,11)6-8/h7,12-13H,2-6H2,1H3
InChIKeyVIKJEHVRUAXPPX-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.70
Rot. Bonds2

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

3,3-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol (PubChem CID 66602542) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 3,3-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol
PubChem CID66602542
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name3,3-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol
SMILESCCC(O)C1(O)CCCC(F)(F)C1
InChIInChI=1S/C9H16F2O2/c1-2-7(12)8(13)4-3-5-9(10,11)6-8/h7,12-13H,2-6H2,1H3
InChIKeyVIKJEHVRUAXPPX-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.70
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-hydroxypropyl)cyclohexan-1-ol?
The IUPAC name of 3,3-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol (CID 66602542) is 3,3-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol.
What is the SMILES notation for 3,3-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol?
The canonical SMILES for 3,3-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol is CCC(O)C1(O)CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol?
The InChIKey is VIKJEHVRUAXPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-2-7(12)8(13)4-3-5-9(10,11)6-8/h7,12-13H,2-6H2,1H3.
What are the key properties of 3,3-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol?
3,3-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol has a molecular weight of 194.22 g/mol, XLogP of 1.70, 2 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-hydroxypropyl)cyclohexan-1-ol is sourced from PubChem (CID 66602542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).