cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

C14H12F4O — CID 62078132

IUPACcyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(C1=CCCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H12F4O/c15-12-7-6-10(8-11(12)14(16,17)18)13(19)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2
InChIKeyKXIKKHBFVDBZPM-UHFFFAOYSA-N
MW272.24 g/mol
LogP4.53
Rot. Bonds2

About cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 62078132) has the molecular formula C14H12F4O and a molecular weight of 272.24 g/mol. Its IUPAC name is cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
PubChem CID62078132
Molecular FormulaC14H12F4O
Molecular Weight272.24 g/mol
Exact Mass272.08
IUPAC Namecyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(C1=CCCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H12F4O/c15-12-7-6-10(8-11(12)14(16,17)18)13(19)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2
InChIKeyKXIKKHBFVDBZPM-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (CID 62078132) is cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is O=C(C1=CCCCC1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is KXIKKHBFVDBZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4O/c15-12-7-6-10(8-11(12)14(16,17)18)13(19)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2.
What are the key properties of cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 272.24 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 62078132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).