1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol

C8H11F5O — CID 13495698

IUPAC1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)C(F)(F)F)CCCCC1
InChIInChI=1S/C8H11F5O/c9-7(10,8(11,12)13)6(14)4-2-1-3-5-6/h14H,1-5H2
InChIKeyBCIAAKHEIJXXKJ-UHFFFAOYSA-N
MW218.16 g/mol
LogP2.88
Rot. Bonds1

About 1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol

1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol (PubChem CID 13495698) has the molecular formula C8H11F5O and a molecular weight of 218.16 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
PubChem CID13495698
Molecular FormulaC8H11F5O
Molecular Weight218.16 g/mol
Exact Mass218.07
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)C(F)(F)F)CCCCC1
InChIInChI=1S/C8H11F5O/c9-7(10,8(11,12)13)6(14)4-2-1-3-5-6/h14H,1-5H2
InChIKeyBCIAAKHEIJXXKJ-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(1,1,2,2,2-pentafluoroethyl)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

Related Compounds

1-(Trifluoromethyl)cyclohexanol
CID 11275228
1-(1,1,2,2,3,3,3-Heptafluoropropyl)cyclohexan-1-ol
CID 12735477
2-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 61644687
4,4-Difluoro-1-methylcyclohexan-1-ol
CID 66602618
1-(Difluoromethyl)cyclohexan-1-ol
CID 80604617
1-(3,3,3-Trifluoroprop-1-ynyl)cyclohexan-1-ol
CID 3631002
Perfluoroethylcyclohexanol
CID 129759965
7,7,8,8,9,9,10,10,10-Nonafluoro-5-methyldecan-5-ol
CID 134957960
1,1,1,2,2,3,3,4,4,5,5,6,6,12,12,13,13,14,14,15,15,16,16,17,17,17-Hexacosafluoro-9-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)heptadecan-9-ol
CID 11051421
1-(1,1,2,3,3,3-Hexafluoropropyl)cyclopentanol
CID 21588245
1-(1,1,2,3,3,3-Hexafluoropropyl)cyclohexanol
CID 21588246
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclohexan-1-ol
CID 101874589

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol (CID 13495698) is 1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol is OC1(C(F)(F)C(F)(F)F)CCCCC1.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
The InChIKey is BCIAAKHEIJXXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5O/c9-7(10,8(11,12)13)6(14)4-2-1-3-5-6/h14H,1-5H2.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol has a molecular weight of 218.16 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol is sourced from PubChem (CID 13495698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).