4-(7,7-difluorohept-6-enyl)cyclohexan-1-one

C13H20F2O — CID 20599854

IUPAC4-(7,7-difluorohept-6-enyl)cyclohexan-1-one
SMILESO=C1CCC(CCCCCC=C(F)F)CC1
InChIInChI=1S/C13H20F2O/c14-13(15)6-4-2-1-3-5-11-7-9-12(16)10-8-11/h6,11H,1-5,7-10H2
InChIKeyREIKUDSQUVUUPR-UHFFFAOYSA-N
MW230.30 g/mol
LogP4.48
Rot. Bonds6

About 4-(7,7-difluorohept-6-enyl)cyclohexan-1-one

4-(7,7-difluorohept-6-enyl)cyclohexan-1-one (PubChem CID 20599854) has the molecular formula C13H20F2O and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-(7,7-difluorohept-6-enyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(7,7-difluorohept-6-enyl)cyclohexan-1-one
PubChem CID20599854
Molecular FormulaC13H20F2O
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name4-(7,7-difluorohept-6-enyl)cyclohexan-1-one
SMILESO=C1CCC(CCCCCC=C(F)F)CC1
InChIInChI=1S/C13H20F2O/c14-13(15)6-4-2-1-3-5-11-7-9-12(16)10-8-11/h6,11H,1-5,7-10H2
InChIKeyREIKUDSQUVUUPR-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(7,7-difluorohept-6-enyl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1,3,3,3-Pentafluoropropen-2-yl)cyclohexanone
CID 129708475
(2R)-2-fluoro-2-prop-2-enylcyclohexan-1-one
CID 11499255
3-(3-Butenyl)cyclohexanone
CID 566226
2-(3-Butenyl)cyclohexanone
CID 11084070
4-Penten-1-one, 1-cyclohexyl-
CID 11400984
2-Pent-4-enylcyclohexan-1-one
CID 12752779
2-Fluoro-2-prop-2-enylcyclohexan-1-one
CID 14342874
1,1-Difluoro-3,3-dimethyltridec-1-en-4-one
CID 86100950
2-(1,1-Difluorobut-3-en-1-yl)cyclohexan-1-one
CID 168301360
2,6-Diallylcyclohexanone
CID 10954092
1-Cyclohexylbut-3-en-1-one
CID 11829650
1-Cyclohexyl-2-fluoro-2-(trifluoromethyl)-3-methyl-4-pentene-1-one
CID 10967438

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-difluorohept-6-enyl)cyclohexan-1-one?
The IUPAC name of 4-(7,7-difluorohept-6-enyl)cyclohexan-1-one (CID 20599854) is 4-(7,7-difluorohept-6-enyl)cyclohexan-1-one.
What is the SMILES notation for 4-(7,7-difluorohept-6-enyl)cyclohexan-1-one?
The canonical SMILES for 4-(7,7-difluorohept-6-enyl)cyclohexan-1-one is O=C1CCC(CCCCCC=C(F)F)CC1.
What is the InChIKey of 4-(7,7-difluorohept-6-enyl)cyclohexan-1-one?
The InChIKey is REIKUDSQUVUUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2O/c14-13(15)6-4-2-1-3-5-11-7-9-12(16)10-8-11/h6,11H,1-5,7-10H2.
What are the key properties of 4-(7,7-difluorohept-6-enyl)cyclohexan-1-one?
4-(7,7-difluorohept-6-enyl)cyclohexan-1-one has a molecular weight of 230.30 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-difluorohept-6-enyl)cyclohexan-1-one is sourced from PubChem (CID 20599854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).