1-but-3-enyl-4,4-difluorocyclohexan-1-ol

C10H16F2O — CID 155822442

IUPAC1-but-3-enyl-4,4-difluorocyclohexan-1-ol
SMILESC=CCCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C10H16F2O/c1-2-3-4-9(13)5-7-10(11,12)8-6-9/h2,13H,1,3-8H2
InChIKeyZVGBMYOAPXVERG-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.89
Rot. Bonds3

About 1-but-3-enyl-4,4-difluorocyclohexan-1-ol

1-but-3-enyl-4,4-difluorocyclohexan-1-ol (PubChem CID 155822442) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-but-3-enyl-4,4-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name1-but-3-enyl-4,4-difluorocyclohexan-1-ol
PubChem CID155822442
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-but-3-enyl-4,4-difluorocyclohexan-1-ol
SMILESC=CCCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C10H16F2O/c1-2-3-4-9(13)5-7-10(11,12)8-6-9/h2,13H,1,3-8H2
InChIKeyZVGBMYOAPXVERG-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.89
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-but-3-enyl-4,4-difluorocyclohexan-1-ol?
The IUPAC name of 1-but-3-enyl-4,4-difluorocyclohexan-1-ol (CID 155822442) is 1-but-3-enyl-4,4-difluorocyclohexan-1-ol.
What is the SMILES notation for 1-but-3-enyl-4,4-difluorocyclohexan-1-ol?
The canonical SMILES for 1-but-3-enyl-4,4-difluorocyclohexan-1-ol is C=CCCC1(O)CCC(F)(F)CC1.
What is the InChIKey of 1-but-3-enyl-4,4-difluorocyclohexan-1-ol?
The InChIKey is ZVGBMYOAPXVERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-2-3-4-9(13)5-7-10(11,12)8-6-9/h2,13H,1,3-8H2.
What are the key properties of 1-but-3-enyl-4,4-difluorocyclohexan-1-ol?
1-but-3-enyl-4,4-difluorocyclohexan-1-ol has a molecular weight of 190.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4,4-difluorocyclohexan-1-ol is sourced from PubChem (CID 155822442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).