1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol

C9H13F5O2 — CID 58843310

IUPAC1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol
SMILESOC(C(F)(F)F)C(F)(F)C1(O)CCCCC1
InChIInChI=1S/C9H13F5O2/c10-8(11,6(15)9(12,13)14)7(16)4-2-1-3-5-7/h6,15-16H,1-5H2
InChIKeyOLLVOPMCODMSFP-UHFFFAOYSA-N
MW248.19 g/mol
LogP2.24
Rot. Bonds2

About 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol

1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol (PubChem CID 58843310) has the molecular formula C9H13F5O2 and a molecular weight of 248.19 g/mol. Its IUPAC name is 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol
PubChem CID58843310
Molecular FormulaC9H13F5O2
Molecular Weight248.19 g/mol
Exact Mass248.08
IUPAC Name1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol
SMILESOC(C(F)(F)F)C(F)(F)C1(O)CCCCC1
InChIInChI=1S/C9H13F5O2/c10-8(11,6(15)9(12,13)14)7(16)4-2-1-3-5-7/h6,15-16H,1-5H2
InChIKeyOLLVOPMCODMSFP-UHFFFAOYSA-N
XLogP2.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol?
The IUPAC name of 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol (CID 58843310) is 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol is OC(C(F)(F)F)C(F)(F)C1(O)CCCCC1.
What is the InChIKey of 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol?
The InChIKey is OLLVOPMCODMSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5O2/c10-8(11,6(15)9(12,13)14)7(16)4-2-1-3-5-7/h6,15-16H,1-5H2.
What are the key properties of 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol?
1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol has a molecular weight of 248.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol is sourced from PubChem (CID 58843310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).