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'}

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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).