2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine

C16H16F3NS — CID 70282991

IUPAC2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine
SMILESFC(F)(F)c1sccc1C1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H16F3NS/c17-16(18,19)15-13(7-9-21-15)12-6-8-20-14(10-12)11-4-2-1-3-5-11/h1-5,7,9,12,14,20H,6,8,10H2
InChIKeyBNFLOTVXLMSRMX-UHFFFAOYSA-N
MW311.37 g/mol
LogP4.98
Rot. Bonds2

About 2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine

2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine (PubChem CID 70282991) has the molecular formula C16H16F3NS and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine.

Molecular Properties

Compound Name2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine
PubChem CID70282991
Molecular FormulaC16H16F3NS
Molecular Weight311.37 g/mol
Exact Mass311.10
IUPAC Name2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine
SMILESFC(F)(F)c1sccc1C1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H16F3NS/c17-16(18,19)15-13(7-9-21-15)12-6-8-20-14(10-12)11-4-2-1-3-5-11/h1-5,7,9,12,14,20H,6,8,10H2
InChIKeyBNFLOTVXLMSRMX-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine?
The IUPAC name of 2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine (CID 70282991) is 2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine.
What is the SMILES notation for 2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine?
The canonical SMILES for 2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine is FC(F)(F)c1sccc1C1CCNC(c2ccccc2)C1.
What is the InChIKey of 2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine?
The InChIKey is BNFLOTVXLMSRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NS/c17-16(18,19)15-13(7-9-21-15)12-6-8-20-14(10-12)11-4-2-1-3-5-11/h1-5,7,9,12,14,20H,6,8,10H2.
What are the key properties of 2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine?
2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine has a molecular weight of 311.37 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine is sourced from PubChem (CID 70282991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).