1,4,4-trifluoro-2-(4-fluorophenyl)piperidine

C11H11F4N — CID 145285323

IUPAC1,4,4-trifluoro-2-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CC(F)(F)CCN2F)cc1
InChIInChI=1S/C11H11F4N/c12-9-3-1-8(2-4-9)10-7-11(13,14)5-6-16(10)15/h1-4,10H,5-7H2
InChIKeyRNIMTWSOLDOHAA-UHFFFAOYSA-N
MW233.21 g/mol
LogP3.48
Rot. Bonds1

About 1,4,4-trifluoro-2-(4-fluorophenyl)piperidine

1,4,4-trifluoro-2-(4-fluorophenyl)piperidine (PubChem CID 145285323) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 1,4,4-trifluoro-2-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name1,4,4-trifluoro-2-(4-fluorophenyl)piperidine
PubChem CID145285323
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name1,4,4-trifluoro-2-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CC(F)(F)CCN2F)cc1
InChIInChI=1S/C11H11F4N/c12-9-3-1-8(2-4-9)10-7-11(13,14)5-6-16(10)15/h1-4,10H,5-7H2
InChIKeyRNIMTWSOLDOHAA-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4,4-difluoro-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 155148305
(2R)-4,4-difluoro-2-(4-fluorophenyl)pyrrolidine
CID 159819312
3,3-difluoro-1-(4-fluorophenyl)pyrrolidine
CID 117007610
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109
tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate
CID 67505810
3-(4-fluorophenyl)morpholin-4-amine
CID 82399655
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094
(2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine
CID 175634971
6-(4-fluorophenyl)-1,2,2-trimethylpiperazine
CID 166046489
1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 131128796
(3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 175961050

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trifluoro-2-(4-fluorophenyl)piperidine?
The IUPAC name of 1,4,4-trifluoro-2-(4-fluorophenyl)piperidine (CID 145285323) is 1,4,4-trifluoro-2-(4-fluorophenyl)piperidine.
What is the SMILES notation for 1,4,4-trifluoro-2-(4-fluorophenyl)piperidine?
The canonical SMILES for 1,4,4-trifluoro-2-(4-fluorophenyl)piperidine is Fc1ccc(C2CC(F)(F)CCN2F)cc1.
What is the InChIKey of 1,4,4-trifluoro-2-(4-fluorophenyl)piperidine?
The InChIKey is RNIMTWSOLDOHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-9-3-1-8(2-4-9)10-7-11(13,14)5-6-16(10)15/h1-4,10H,5-7H2.
What are the key properties of 1,4,4-trifluoro-2-(4-fluorophenyl)piperidine?
1,4,4-trifluoro-2-(4-fluorophenyl)piperidine has a molecular weight of 233.21 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trifluoro-2-(4-fluorophenyl)piperidine is sourced from PubChem (CID 145285323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).