4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol

C9H16F2O2 — CID 66602789

IUPAC4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol
SMILESCCC(O)C1(O)CCC(F)(F)CC1
InChIInChI=1S/C9H16F2O2/c1-2-7(12)8(13)3-5-9(10,11)6-4-8/h7,12-13H,2-6H2,1H3
InChIKeySJSPDXCTFMJNOZ-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.70
Rot. Bonds2

About 4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol

4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol (PubChem CID 66602789) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol
PubChem CID66602789
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol
SMILESCCC(O)C1(O)CCC(F)(F)CC1
InChIInChI=1S/C9H16F2O2/c1-2-7(12)8(13)3-5-9(10,11)6-4-8/h7,12-13H,2-6H2,1H3
InChIKeySJSPDXCTFMJNOZ-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 4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol?
The IUPAC name of 4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol (CID 66602789) is 4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol.
What is the SMILES notation for 4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol?
The canonical SMILES for 4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol is CCC(O)C1(O)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol?
The InChIKey is SJSPDXCTFMJNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-2-7(12)8(13)3-5-9(10,11)6-4-8/h7,12-13H,2-6H2,1H3.
What are the key properties of 4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol?
4,4-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 4,4-difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol is sourced from PubChem (CID 66602789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).