cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone

C11H8F4O — CID 118170789

IUPACcyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H8F4O/c12-7-3-4-8(10(16)6-1-2-6)9(5-7)11(13,14)15/h3-6H,1-2H2
InChIKeyDBFNYEIUPNPVLI-UHFFFAOYSA-N
MW232.18 g/mol
LogP3.44
Rot. Bonds2

About cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone

cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone (PubChem CID 118170789) has the molecular formula C11H8F4O and a molecular weight of 232.18 g/mol. Its IUPAC name is cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
PubChem CID118170789
Molecular FormulaC11H8F4O
Molecular Weight232.18 g/mol
Exact Mass232.05
IUPAC Namecyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H8F4O/c12-7-3-4-8(10(16)6-1-2-6)9(5-7)11(13,14)15/h3-6H,1-2H2
InChIKeyDBFNYEIUPNPVLI-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 146008834
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
cyclopropyl-(5-fluoro-2-hydroxyphenyl)methanone
CID 62379019
(2-bromo-5-fluorophenyl)-cyclopropylmethanone
CID 114977645
2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 117115583
cyclobutyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724140
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
(5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105095429
benzyl 3-[4-fluoro-2-(trifluoromethyl)benzoyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949624
cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone
CID 82262955
2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619728

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone (CID 118170789) is cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(F)cc1C(F)(F)F)C1CC1.
What is the InChIKey of cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The InChIKey is DBFNYEIUPNPVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4O/c12-7-3-4-8(10(16)6-1-2-6)9(5-7)11(13,14)15/h3-6H,1-2H2.
What are the key properties of cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone has a molecular weight of 232.18 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 118170789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).