XVFXHCLMGYJAQI-NMQOAUCRSA-N

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

C₉H₄Cl₂F₃N₃ — CID 146425097

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

IUPAC4,5-dideuterio-1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole

SMILES[2H]c1nnn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)c1[2H]

InChIInChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H/i3D,4D

InChIKeyXVFXHCLMGYJAQI-NMQOAUCRSA-N

MW284.06 g/mol

LogP3.59

Rot. Bonds1

About XVFXHCLMGYJAQI-NMQOAUCRSA-N

XVFXHCLMGYJAQI-NMQOAUCRSA-N (PubChem CID 146425097) has the molecular formula C₉H₄Cl₂F₃N₃ and a molecular weight of 284.06 g/mol. Its IUPAC name is 4,5-dideuterio-1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name	XVFXHCLMGYJAQI-NMQOAUCRSA-N
PubChem CID	146425097
Molecular Formula	C₉H₄Cl₂F₃N₃
Molecular Weight	284.06 g/mol
Exact Mass	282.99
IUPAC Name	4,5-dideuterio-1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole
SMILES	[2H]c1nnn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)c1[2H]
InChI	InChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H/i3D,4D
InChIKey	XVFXHCLMGYJAQI-NMQOAUCRSA-N
XLogP	3.59
TPSA	30.71 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.06
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of XVFXHCLMGYJAQI-NMQOAUCRSA-N?

The IUPAC name of XVFXHCLMGYJAQI-NMQOAUCRSA-N (CID 146425097) is 4,5-dideuterio-1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole.

What is the SMILES notation for XVFXHCLMGYJAQI-NMQOAUCRSA-N?

The canonical SMILES for XVFXHCLMGYJAQI-NMQOAUCRSA-N is [2H]c1nnn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)c1[2H].

What is the InChIKey of XVFXHCLMGYJAQI-NMQOAUCRSA-N?

The InChIKey is XVFXHCLMGYJAQI-NMQOAUCRSA-N. The full InChI is InChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H/i3D,4D.

What are the key properties of XVFXHCLMGYJAQI-NMQOAUCRSA-N?

XVFXHCLMGYJAQI-NMQOAUCRSA-N has a molecular weight of 284.06 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for XVFXHCLMGYJAQI-NMQOAUCRSA-N is sourced from PubChem (CID 146425097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146425097 — identifiers, structure, computed properties (public domain)

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