2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone

C14H13F4NO2 — CID 118024640

IUPAC2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone
SMILESO=C(c1ccc(F)c(C(=O)C(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C14H13F4NO2/c15-11-2-1-9(7-10(11)13(21)14(16,17)18)12(20)8-3-5-19-6-4-8/h1-2,7-8,19H,3-6H2
InChIKeyNGGGRLULUSLGBX-UHFFFAOYSA-N
MW303.25 g/mol
LogP2.75
Rot. Bonds3

About 2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone

2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone (PubChem CID 118024640) has the molecular formula C14H13F4NO2 and a molecular weight of 303.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone
PubChem CID118024640
Molecular FormulaC14H13F4NO2
Molecular Weight303.25 g/mol
Exact Mass303.09
IUPAC Name2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone
SMILESO=C(c1ccc(F)c(C(=O)C(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C14H13F4NO2/c15-11-2-1-9(7-10(11)13(21)14(16,17)18)12(20)8-3-5-19-6-4-8/h1-2,7-8,19H,3-6H2
InChIKeyNGGGRLULUSLGBX-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 23081458
(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
CID 107129727
(3,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105098223
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 13180305
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
tert-butyl formate;(4-chlorophenyl)-piperidin-4-ylmethanone
CID 175329360
(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790630
4-(4-fluoro-3-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 116918664

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone (CID 118024640) is 2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone is O=C(c1ccc(F)c(C(=O)C(F)(F)F)c1)C1CCNCC1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone?
The InChIKey is NGGGRLULUSLGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO2/c15-11-2-1-9(7-10(11)13(21)14(16,17)18)12(20)8-3-5-19-6-4-8/h1-2,7-8,19H,3-6H2.
What are the key properties of 2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone?
2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone has a molecular weight of 303.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-fluoro-5-(piperidine-4-carbonyl)phenyl]ethanone is sourced from PubChem (CID 118024640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).