2-fluoro-2-prop-2-enylcyclohexan-1-one

C9H13FO — CID 14342874

IUPAC2-fluoro-2-prop-2-enylcyclohexan-1-one
SMILESC=CCC1(F)CCCCC1=O
InChIInChI=1S/C9H13FO/c1-2-6-9(10)7-4-3-5-8(9)11/h2H,1,3-7H2
InChIKeyXNXTUPFRDHCIIY-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.41
Rot. Bonds2

About 2-fluoro-2-prop-2-enylcyclohexan-1-one

2-fluoro-2-prop-2-enylcyclohexan-1-one (PubChem CID 14342874) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-fluoro-2-prop-2-enylcyclohexan-1-one.

Molecular Properties

Compound Name2-fluoro-2-prop-2-enylcyclohexan-1-one
PubChem CID14342874
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name2-fluoro-2-prop-2-enylcyclohexan-1-one
SMILESC=CCC1(F)CCCCC1=O
InChIInChI=1S/C9H13FO/c1-2-6-9(10)7-4-3-5-8(9)11/h2H,1,3-7H2
InChIKeyXNXTUPFRDHCIIY-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
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-2-prop-2-enylcyclohexan-1-one?
The IUPAC name of 2-fluoro-2-prop-2-enylcyclohexan-1-one (CID 14342874) is 2-fluoro-2-prop-2-enylcyclohexan-1-one.
What is the SMILES notation for 2-fluoro-2-prop-2-enylcyclohexan-1-one?
The canonical SMILES for 2-fluoro-2-prop-2-enylcyclohexan-1-one is C=CCC1(F)CCCCC1=O.
What is the InChIKey of 2-fluoro-2-prop-2-enylcyclohexan-1-one?
The InChIKey is XNXTUPFRDHCIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-2-6-9(10)7-4-3-5-8(9)11/h2H,1,3-7H2.
What are the key properties of 2-fluoro-2-prop-2-enylcyclohexan-1-one?
2-fluoro-2-prop-2-enylcyclohexan-1-one has a molecular weight of 156.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-prop-2-enylcyclohexan-1-one is sourced from PubChem (CID 14342874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).