2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile

Name: 2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₁F₅N₂ — CID 142449315

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile

SMILESN#Cc1cc(F)c(N2CCC(C(F)(F)F)CC2)cc1F

InChIInChI=1S/C13H11F5N2/c14-10-6-12(11(15)5-8(10)7-19)20-3-1-9(2-4-20)13(16,17)18/h5-6,9H,1-4H2

InChIKeyPLPVBGKQQYMDRQ-UHFFFAOYSA-N

MW290.24 g/mol

LogP3.62

Rot. Bonds1

About 2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile

2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile (PubChem CID 142449315) has the molecular formula C₁₃H₁₁F₅N₂ and a molecular weight of 290.24 g/mol. Its IUPAC name is 2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name	2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile
PubChem CID	142449315
Molecular Formula	C₁₃H₁₁F₅N₂
Molecular Weight	290.24 g/mol
Exact Mass	290.08
IUPAC Name	2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile
SMILES	N#Cc1cc(F)c(N2CCC(C(F)(F)F)CC2)cc1F
InChI	InChI=1S/C13H11F5N2/c14-10-6-12(11(15)5-8(10)7-19)20-3-1-9(2-4-20)13(16,17)18/h5-6,9H,1-4H2
InChIKey	PLPVBGKQQYMDRQ-UHFFFAOYSA-N
XLogP	3.62
TPSA	27.03 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.24
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile?

The IUPAC name of 2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile (CID 142449315) is 2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile.

What is the SMILES notation for 2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile?

The canonical SMILES for 2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile is N#Cc1cc(F)c(N2CCC(C(F)(F)F)CC2)cc1F.

What is the InChIKey of 2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile?

The InChIKey is PLPVBGKQQYMDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F5N2/c14-10-6-12(11(15)5-8(10)7-19)20-3-1-9(2-4-20)13(16,17)18/h5-6,9H,1-4H2.

What are the key properties of 2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile?

2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile has a molecular weight of 290.24 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 142449315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 142449315 — identifiers, structure, computed properties (public domain)

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