1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol

C8H9F5O — CID 13495699

IUPAC1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol
SMILESOC1(C(F)(F)C(F)(F)F)C=CCCC1
InChIInChI=1S/C8H9F5O/c9-7(10,8(11,12)13)6(14)4-2-1-3-5-6/h2,4,14H,1,3,5H2
InChIKeyIDTUHZNRUVESEG-UHFFFAOYSA-N
MW216.15 g/mol
LogP2.66
Rot. Bonds1

About 1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol

1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol (PubChem CID 13495699) has the molecular formula C8H9F5O and a molecular weight of 216.15 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol
PubChem CID13495699
Molecular FormulaC8H9F5O
Molecular Weight216.15 g/mol
Exact Mass216.06
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol
SMILESOC1(C(F)(F)C(F)(F)F)C=CCCC1
InChIInChI=1S/C8H9F5O/c9-7(10,8(11,12)13)6(14)4-2-1-3-5-6/h2,4,14H,1,3,5H2
InChIKeyIDTUHZNRUVESEG-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol (CID 13495699) is 1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol is OC1(C(F)(F)C(F)(F)F)C=CCCC1.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol?
The InChIKey is IDTUHZNRUVESEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5O/c9-7(10,8(11,12)13)6(14)4-2-1-3-5-6/h2,4,14H,1,3,5H2.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol?
1-(1,1,2,2,2-pentafluoroethyl)cyclohex-2-en-1-ol has a molecular weight of 216.15 g/mol, XLogP of 2.66, 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)cyclohex-2-en-1-ol is sourced from PubChem (CID 13495699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).