4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one

C16H18F2O — CID 20599818

IUPAC4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one
SMILESO=C1CCC(c2ccc(CCC=C(F)F)cc2)CC1
InChIInChI=1S/C16H18F2O/c17-16(18)3-1-2-12-4-6-13(7-5-12)14-8-10-15(19)11-9-14/h3-7,14H,1-2,8-11H2
InChIKeyVLPJMSSKRLZBHJ-UHFFFAOYSA-N
MW264.31 g/mol
LogP4.63
Rot. Bonds4

About 4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one

4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one (PubChem CID 20599818) has the molecular formula C16H18F2O and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one
PubChem CID20599818
Molecular FormulaC16H18F2O
Molecular Weight264.31 g/mol
Exact Mass264.13
IUPAC Name4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one
SMILESO=C1CCC(c2ccc(CCC=C(F)F)cc2)CC1
InChIInChI=1S/C16H18F2O/c17-16(18)3-1-2-12-4-6-13(7-5-12)14-8-10-15(19)11-9-14/h3-7,14H,1-2,8-11H2
InChIKeyVLPJMSSKRLZBHJ-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene
CID 163696676
2-[4-(4-oxocyclohexyl)phenyl]acetonitrile
CID 12945213
2-[4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599515
[1-[4-[4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexyl]cyclohexyl]-4-hydroxybutan-2-yl] 2-methylprop-2-enoate
CID 134245232
4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880
2-[4-(4,4-difluorobut-3-enyl)phenyl]-5-pentyl-1,3-dioxane
CID 20599688
4-(4-oxocyclohexyl)benzonitrile;4-(4-pentylphenyl)cyclohexan-1-one
CID 70502253
ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen
CID 142101023
4-(7,7-difluorohept-6-enyl)cyclohexan-1-one
CID 20599854
ethane;methanol;4-phenylcyclohexan-1-one
CID 91076562
4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one
CID 59417572
1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 70030132

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one?
The IUPAC name of 4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one (CID 20599818) is 4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one?
The canonical SMILES for 4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one is O=C1CCC(c2ccc(CCC=C(F)F)cc2)CC1.
What is the InChIKey of 4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one?
The InChIKey is VLPJMSSKRLZBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2O/c17-16(18)3-1-2-12-4-6-13(7-5-12)14-8-10-15(19)11-9-14/h3-7,14H,1-2,8-11H2.
What are the key properties of 4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one?
4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one has a molecular weight of 264.31 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 20599818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).