4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine

C13H16F3N — CID 84703850

IUPAC4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine
SMILESFC(F)(F)Cc1cccc(C2CCNCC2)c1
InChIInChI=1S/C13H16F3N/c14-13(15,16)9-10-2-1-3-12(8-10)11-4-6-17-7-5-11/h1-3,8,11,17H,4-7,9H2
InChIKeyMMDJWAGSUZMDDG-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.26
Rot. Bonds2

About 4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine

4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine (PubChem CID 84703850) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine
PubChem CID84703850
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine
SMILESFC(F)(F)Cc1cccc(C2CCNCC2)c1
InChIInChI=1S/C13H16F3N/c14-13(15,16)9-10-2-1-3-12(8-10)11-4-6-17-7-5-11/h1-3,8,11,17H,4-7,9H2
InChIKeyMMDJWAGSUZMDDG-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine?
The IUPAC name of 4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine (CID 84703850) is 4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine.
What is the SMILES notation for 4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine?
The canonical SMILES for 4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine is FC(F)(F)Cc1cccc(C2CCNCC2)c1.
What is the InChIKey of 4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine?
The InChIKey is MMDJWAGSUZMDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-13(15,16)9-10-2-1-3-12(8-10)11-4-6-17-7-5-11/h1-3,8,11,17H,4-7,9H2.
What are the key properties of 4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine?
4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine has a molecular weight of 243.27 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine is sourced from PubChem (CID 84703850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).