1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol

C12H18F2O — CID 165498528

IUPAC1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(CC2CCCC2)C=CC(F)(F)CC1
InChIInChI=1S/C12H18F2O/c13-12(14)7-5-11(15,6-8-12)9-10-3-1-2-4-10/h5,7,10,15H,1-4,6,8-9H2
InChIKeyOPURLFBBWOJDRI-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.28
Rot. Bonds2

About 1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol

1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol (PubChem CID 165498528) has the molecular formula C12H18F2O and a molecular weight of 216.27 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol
PubChem CID165498528
Molecular FormulaC12H18F2O
Molecular Weight216.27 g/mol
Exact Mass216.13
IUPAC Name1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(CC2CCCC2)C=CC(F)(F)CC1
InChIInChI=1S/C12H18F2O/c13-12(14)7-5-11(15,6-8-12)9-10-3-1-2-4-10/h5,7,10,15H,1-4,6,8-9H2
InChIKeyOPURLFBBWOJDRI-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol?
The IUPAC name of 1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol (CID 165498528) is 1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol.
What is the SMILES notation for 1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol?
The canonical SMILES for 1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol is OC1(CC2CCCC2)C=CC(F)(F)CC1.
What is the InChIKey of 1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol?
The InChIKey is OPURLFBBWOJDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O/c13-12(14)7-5-11(15,6-8-12)9-10-3-1-2-4-10/h5,7,10,15H,1-4,6,8-9H2.
What are the key properties of 1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol?
1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol has a molecular weight of 216.27 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol is sourced from PubChem (CID 165498528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).