2-[(3,4-difluorophenyl)methylidene]propanedinitrile

C10H4F2N2 — CID 786126

IUPAC2-[(3,4-difluorophenyl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H4F2N2/c11-9-2-1-7(4-10(9)12)3-8(5-13)6-14/h1-4H
InChIKeySVFZPZAJGPBFRS-UHFFFAOYSA-N
MW190.15 g/mol
LogP2.40
Rot. Bonds1

About 2-[(3,4-difluorophenyl)methylidene]propanedinitrile

2-[(3,4-difluorophenyl)methylidene]propanedinitrile (PubChem CID 786126) has the molecular formula C10H4F2N2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methylidene]propanedinitrile
PubChem CID786126
Molecular FormulaC10H4F2N2
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name2-[(3,4-difluorophenyl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H4F2N2/c11-9-2-1-7(4-10(9)12)3-8(5-13)6-14/h1-4H
InChIKeySVFZPZAJGPBFRS-UHFFFAOYSA-N
XLogP2.40
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-[(3,4-difluorophenyl)methylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3,5-bis(2,2-dicyanoethenyl)phenyl]methylidene]propanedinitrile
CID 100969781
(E)-3-(3,4-difluorophenyl)-2-(4-fluorobenzoyl)prop-2-enenitrile
CID 9338136
2-(benzenesulfonyl)-3-(3,4-difluorophenyl)prop-2-enenitrile
CID 71832957
(E)-2-(4-chlorophenyl)sulfonyl-3-(3,4-difluorophenyl)prop-2-enenitrile
CID 35770946
2-[[3-[(3-chloro-4-fluorophenyl)methyl]phenyl]methylidene]propanedinitrile
CID 155530460
(E)-2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide
CID 8865669
2-(9H-fluoren-2-ylmethylidene)propanedinitrile
CID 134159255
2-(1-benzotellurophen-5-ylmethylidene)propanedinitrile
CID 87575918
2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile
CID 87575792
2-[(3-methoxy-4-methylsulfanylphenyl)methylidene]propanedinitrile
CID 47474991
2-(1H-indol-5-ylmethylidene)propanedinitrile
CID 5328751
4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
CID 79324340

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methylidene]propanedinitrile?
The IUPAC name of 2-[(3,4-difluorophenyl)methylidene]propanedinitrile (CID 786126) is 2-[(3,4-difluorophenyl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methylidene]propanedinitrile?
The canonical SMILES for 2-[(3,4-difluorophenyl)methylidene]propanedinitrile is N#CC(C#N)=Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methylidene]propanedinitrile?
The InChIKey is SVFZPZAJGPBFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F2N2/c11-9-2-1-7(4-10(9)12)3-8(5-13)6-14/h1-4H.
What are the key properties of 2-[(3,4-difluorophenyl)methylidene]propanedinitrile?
2-[(3,4-difluorophenyl)methylidene]propanedinitrile has a molecular weight of 190.15 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methylidene]propanedinitrile is sourced from PubChem (CID 786126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).