(4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone

C20H17F4NO2 — CID 39975265

IUPAC(4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C20H17F4NO2/c21-15-9-7-13(8-10-15)18(26)16-5-1-2-6-17(16)19(27)25-11-3-4-14(12-25)20(22,23)24/h1-2,5-10,14H,3-4,11-12H2/t14-/m0/s1
InChIKeyFAHGYLLJJRUKPT-AWEZNQCLSA-N
MW379.35 g/mol
LogP4.47
Rot. Bonds3

About (4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone

(4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone (PubChem CID 39975265) has the molecular formula C20H17F4NO2 and a molecular weight of 379.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
PubChem CID39975265
Molecular FormulaC20H17F4NO2
Molecular Weight379.35 g/mol
Exact Mass379.12
IUPAC Name(4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C20H17F4NO2/c21-15-9-7-13(8-10-15)18(26)16-5-1-2-6-17(16)19(27)25-11-3-4-14(12-25)20(22,23)24/h1-2,5-10,14H,3-4,11-12H2/t14-/m0/s1
InChIKeyFAHGYLLJJRUKPT-AWEZNQCLSA-N
XLogP4.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
CID 42945605
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008
naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51556451
(2-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63110249
(2-amino-3-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60682147
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032264
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
(5-amino-2-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61101822
(3-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102754

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone (CID 39975265) is (4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone is O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone?
The InChIKey is FAHGYLLJJRUKPT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17F4NO2/c21-15-9-7-13(8-10-15)18(26)16-5-1-2-6-17(16)19(27)25-11-3-4-14(12-25)20(22,23)24/h1-2,5-10,14H,3-4,11-12H2/t14-/m0/s1.
What are the key properties of (4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone?
(4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone has a molecular weight of 379.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone is sourced from PubChem (CID 39975265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).