2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine

C13H14F3N — CID 170718536

IUPAC2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine
SMILESFC(F)(F)C=C1CCNC(c2ccccc2)C1
InChIInChI=1S/C13H14F3N/c14-13(15,16)9-10-6-7-17-12(8-10)11-4-2-1-3-5-11/h1-5,9,12,17H,6-8H2
InChIKeyQEBXUDGNUVADMO-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.60
Rot. Bonds1

About 2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine

2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine (PubChem CID 170718536) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine.

Molecular Properties

Compound Name2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine
PubChem CID170718536
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine
SMILESFC(F)(F)C=C1CCNC(c2ccccc2)C1
InChIInChI=1S/C13H14F3N/c14-13(15,16)9-10-6-7-17-12(8-10)11-4-2-1-3-5-11/h1-5,9,12,17H,6-8H2
InChIKeyQEBXUDGNUVADMO-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-phenylpiperidin-4-one
CID 86319056
2-phenyl-4-(trifluoromethyl)piperidine
CID 66330695
(7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene
CID 101114161
4-phenyl-1,5-diazocan-2-one
CID 13048236
(2S)-2-phenylpiperidine
CID 10997356
4-phenyl-1,5-diazecan-2-one
CID 101358017
(5R)-5-phenyl-1,4-diazepane
CID 124583394
2-phenyl-1,4,7,10-tetrazacyclododecane
CID 10901007
2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol
CID 170718755
(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine
CID 164752777
(2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide
CID 170718511
4,4-difluoro-2-phenylpiperidine;ethane
CID 145285471

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine?
The IUPAC name of 2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine (CID 170718536) is 2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine.
What is the SMILES notation for 2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine?
The canonical SMILES for 2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine is FC(F)(F)C=C1CCNC(c2ccccc2)C1.
What is the InChIKey of 2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine?
The InChIKey is QEBXUDGNUVADMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c14-13(15,16)9-10-6-7-17-12(8-10)11-4-2-1-3-5-11/h1-5,9,12,17H,6-8H2.
What are the key properties of 2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine?
2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine has a molecular weight of 241.26 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine is sourced from PubChem (CID 170718536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).