1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol

C10H14F2O — CID 165497640

IUPAC1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(C2CCC2)C=CC(F)(F)CC1
InChIInChI=1S/C10H14F2O/c11-10(12)6-4-9(13,5-7-10)8-2-1-3-8/h4,6,8,13H,1-3,5,7H2
InChIKeyHNXIDGXSNAURGU-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.50
Rot. Bonds1

About 1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol

1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol (PubChem CID 165497640) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol
PubChem CID165497640
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(C2CCC2)C=CC(F)(F)CC1
InChIInChI=1S/C10H14F2O/c11-10(12)6-4-9(13,5-7-10)8-2-1-3-8/h4,6,8,13H,1-3,5,7H2
InChIKeyHNXIDGXSNAURGU-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.50
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-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol?
The IUPAC name of 1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol (CID 165497640) is 1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol.
What is the SMILES notation for 1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol?
The canonical SMILES for 1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol is OC1(C2CCC2)C=CC(F)(F)CC1.
What is the InChIKey of 1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol?
The InChIKey is HNXIDGXSNAURGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O/c11-10(12)6-4-9(13,5-7-10)8-2-1-3-8/h4,6,8,13H,1-3,5,7H2.
What are the key properties of 1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol?
1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol has a molecular weight of 188.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol is sourced from PubChem (CID 165497640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).