1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol

C9H14F2O — CID 12591135

IUPAC1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol
SMILESC=CC(F)(F)C1(O)CCCCC1
InChIInChI=1S/C9H14F2O/c1-2-9(10,11)8(12)6-4-3-5-7-8/h2,12H,1,3-7H2
InChIKeyPJOYVPVSUMMPQX-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.50
Rot. Bonds2

About 1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol

1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol (PubChem CID 12591135) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol
PubChem CID12591135
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol
SMILESC=CC(F)(F)C1(O)CCCCC1
InChIInChI=1S/C9H14F2O/c1-2-9(10,11)8(12)6-4-3-5-7-8/h2,12H,1,3-7H2
InChIKeyPJOYVPVSUMMPQX-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
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-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol?
The IUPAC name of 1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol (CID 12591135) is 1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol is C=CC(F)(F)C1(O)CCCCC1.
What is the InChIKey of 1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol?
The InChIKey is PJOYVPVSUMMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-2-9(10,11)8(12)6-4-3-5-7-8/h2,12H,1,3-7H2.
What are the key properties of 1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol?
1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol has a molecular weight of 176.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroprop-2-enyl)cyclohexan-1-ol is sourced from PubChem (CID 12591135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).