QXOIWVQZOVYSRM-UHFFFAOYSA-N

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

C₁₃H₁₅F₂N₂- — CID 151666122

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

IUPAC[3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide

SMILESCC(C)C[N-]Cc1ccc(C(F)F)c(C#N)c1

InChIInChI=1S/C13H15F2N2/c1-9(2)7-17-8-10-3-4-12(13(14)15)11(5-10)6-16/h3-5,9,13H,7-8H2,1-2H3/q-1

InChIKeyQXOIWVQZOVYSRM-UHFFFAOYSA-N

MW237.27 g/mol

LogP4.03

Rot. Bonds5

About QXOIWVQZOVYSRM-UHFFFAOYSA-N

QXOIWVQZOVYSRM-UHFFFAOYSA-N (PubChem CID 151666122) has the molecular formula C₁₃H₁₅F₂N₂- and a molecular weight of 237.27 g/mol. Its IUPAC name is [3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide.

Molecular Properties

Compound Name	QXOIWVQZOVYSRM-UHFFFAOYSA-N
PubChem CID	151666122
Molecular Formula	C₁₃H₁₅F₂N₂-
Molecular Weight	237.27 g/mol
Exact Mass	237.12
IUPAC Name	[3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide
SMILES	CC(C)C[N-]Cc1ccc(C(F)F)c(C#N)c1
InChI	InChI=1S/C13H15F2N2/c1-9(2)7-17-8-10-3-4-12(13(14)15)11(5-10)6-16/h3-5,9,13H,7-8H2,1-2H3/q-1
InChIKey	QXOIWVQZOVYSRM-UHFFFAOYSA-N
XLogP	4.03
TPSA	37.89 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	5
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.27
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of QXOIWVQZOVYSRM-UHFFFAOYSA-N (CID 151666122) is [3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide.

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

The canonical SMILES for QXOIWVQZOVYSRM-UHFFFAOYSA-N is CC(C)C[N-]Cc1ccc(C(F)F)c(C#N)c1.

What is the InChIKey of QXOIWVQZOVYSRM-UHFFFAOYSA-N?

The InChIKey is QXOIWVQZOVYSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N2/c1-9(2)7-17-8-10-3-4-12(13(14)15)11(5-10)6-16/h3-5,9,13H,7-8H2,1-2H3/q-1.

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

QXOIWVQZOVYSRM-UHFFFAOYSA-N has a molecular weight of 237.27 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for QXOIWVQZOVYSRM-UHFFFAOYSA-N is sourced from PubChem (CID 151666122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 151666122 — identifiers, structure, computed properties (public domain)

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