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

C13H12F4O — CID 146008834

IUPACcyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H12F4O/c14-9-5-6-10(11(7-9)13(15,16)17)12(18)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyOZORXTDNLJYEPP-UHFFFAOYSA-N
MW260.23 g/mol
LogP4.22
Rot. Bonds2

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

cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone (PubChem CID 146008834) has the molecular formula C13H12F4O and a molecular weight of 260.23 g/mol. Its IUPAC name is cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
PubChem CID146008834
Molecular FormulaC13H12F4O
Molecular Weight260.23 g/mol
Exact Mass260.08
IUPAC Namecyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H12F4O/c14-9-5-6-10(11(7-9)13(15,16)17)12(18)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyOZORXTDNLJYEPP-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 118170789
(2-bromo-4-fluorophenyl)-cyclohexylmethanone
CID 114962193
cyclobutyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724140
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
benzyl 3-[4-fluoro-2-(trifluoromethyl)benzoyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949624
cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 175669824
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 117115583
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
cyclopropyl-(5-fluoro-2-hydroxyphenyl)methanone
CID 62379019
2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619728
(2-bromo-5-fluorophenyl)-cyclopropylmethanone
CID 114977645

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone (CID 146008834) is cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(F)cc1C(F)(F)F)C1CCCC1.
What is the InChIKey of cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The InChIKey is OZORXTDNLJYEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4O/c14-9-5-6-10(11(7-9)13(15,16)17)12(18)8-3-1-2-4-8/h5-8H,1-4H2.
What are the key properties of cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone has a molecular weight of 260.23 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 146008834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).