LPFTVRIEQGCQHH-UHFFFAOYSA-N

Name: LPFTVRIEQGCQHH-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₂F₆N₂O₄ — CID 159416566

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

IUPAC3-(2,2,2-trifluoroethoxy)pyridine;5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

SMILESFC(F)(F)COc1cccnc1.O=C(O)c1ccc(OCC(F)(F)F)cn1

InChIInChI=1S/C8H6F3NO3.C7H6F3NO/c9-8(10,11)4-15-5-1-2-6(7(13)14)12-3-5;8-7(9,10)5-12-6-2-1-3-11-4-6/h1-3H,4H2,(H,13,14);1-4H,5H2

InChIKeyLPFTVRIEQGCQHH-UHFFFAOYSA-N

MW398.26 g/mol

LogP3.74

Rot. Bonds5

About LPFTVRIEQGCQHH-UHFFFAOYSA-N

LPFTVRIEQGCQHH-UHFFFAOYSA-N (PubChem CID 159416566) has the molecular formula C₁₅H₁₂F₆N₂O₄ and a molecular weight of 398.26 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)pyridine;5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name	LPFTVRIEQGCQHH-UHFFFAOYSA-N
PubChem CID	159416566
Molecular Formula	C₁₅H₁₂F₆N₂O₄
Molecular Weight	398.26 g/mol
Exact Mass	398.07
IUPAC Name	3-(2,2,2-trifluoroethoxy)pyridine;5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILES	FC(F)(F)COc1cccnc1.O=C(O)c1ccc(OCC(F)(F)F)cn1
InChI	InChI=1S/C8H6F3NO3.C7H6F3NO/c9-8(10,11)4-15-5-1-2-6(7(13)14)12-3-5;8-7(9,10)5-12-6-2-1-3-11-4-6/h1-3H,4H2,(H,13,14);1-4H,5H2
InChIKey	LPFTVRIEQGCQHH-UHFFFAOYSA-N
XLogP	3.74
TPSA	81.54 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.26
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of LPFTVRIEQGCQHH-UHFFFAOYSA-N?

The IUPAC name of LPFTVRIEQGCQHH-UHFFFAOYSA-N (CID 159416566) is 3-(2,2,2-trifluoroethoxy)pyridine;5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.

What is the SMILES notation for LPFTVRIEQGCQHH-UHFFFAOYSA-N?

The canonical SMILES for LPFTVRIEQGCQHH-UHFFFAOYSA-N is FC(F)(F)COc1cccnc1.O=C(O)c1ccc(OCC(F)(F)F)cn1.

What is the InChIKey of LPFTVRIEQGCQHH-UHFFFAOYSA-N?

The InChIKey is LPFTVRIEQGCQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3.C7H6F3NO/c9-8(10,11)4-15-5-1-2-6(7(13)14)12-3-5;8-7(9,10)5-12-6-2-1-3-11-4-6/h1-3H,4H2,(H,13,14);1-4H,5H2.

What are the key properties of LPFTVRIEQGCQHH-UHFFFAOYSA-N?

LPFTVRIEQGCQHH-UHFFFAOYSA-N has a molecular weight of 398.26 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for LPFTVRIEQGCQHH-UHFFFAOYSA-N is sourced from PubChem (CID 159416566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159416566 — identifiers, structure, computed properties (public domain)

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