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

C13H15F2N2- — CID 151666122

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

[3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide (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[3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide
PubChem CID151666122
Molecular FormulaC13H15F2N2-
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[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
XLogP4.03
TPSA37.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide?
The IUPAC name of [3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide (CID 151666122) is [3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide.
What is the SMILES notation for [3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide?
The canonical SMILES for [3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide is CC(C)C[N-]Cc1ccc(C(F)F)c(C#N)c1.
What is the InChIKey of [3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide?
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 [3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide?
[3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide 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 [3-cyano-4-(difluoromethyl)phenyl]methyl-(2-methylpropyl)azanide is sourced from PubChem (CID 151666122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).