2-fluoro-4-prop-2-enylcyclohexan-1-ol

C9H15FO — CID 67816466

IUPAC2-fluoro-4-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1CCC(O)C(F)C1
InChIInChI=1S/C9H15FO/c1-2-3-7-4-5-9(11)8(10)6-7/h2,7-9,11H,1,3-6H2
InChIKeyOBEDZOSENIAFFW-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.06
Rot. Bonds2

About 2-fluoro-4-prop-2-enylcyclohexan-1-ol

2-fluoro-4-prop-2-enylcyclohexan-1-ol (PubChem CID 67816466) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-fluoro-4-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Name2-fluoro-4-prop-2-enylcyclohexan-1-ol
PubChem CID67816466
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name2-fluoro-4-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1CCC(O)C(F)C1
InChIInChI=1S/C9H15FO/c1-2-3-7-4-5-9(11)8(10)6-7/h2,7-9,11H,1,3-6H2
InChIKeyOBEDZOSENIAFFW-UHFFFAOYSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.06
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 2-fluoro-4-prop-2-enylcyclohexan-1-ol?
The IUPAC name of 2-fluoro-4-prop-2-enylcyclohexan-1-ol (CID 67816466) is 2-fluoro-4-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for 2-fluoro-4-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for 2-fluoro-4-prop-2-enylcyclohexan-1-ol is C=CCC1CCC(O)C(F)C1.
What is the InChIKey of 2-fluoro-4-prop-2-enylcyclohexan-1-ol?
The InChIKey is OBEDZOSENIAFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-2-3-7-4-5-9(11)8(10)6-7/h2,7-9,11H,1,3-6H2.
What are the key properties of 2-fluoro-4-prop-2-enylcyclohexan-1-ol?
2-fluoro-4-prop-2-enylcyclohexan-1-ol has a molecular weight of 158.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 67816466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).