1,2-difluoro-4-(2-isocyanophenyl)benzene

C13H7F2N — CID 176914767

IUPAC1,2-difluoro-4-(2-isocyanophenyl)benzene
SMILES[C-]#[N+]c1ccccc1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H7F2N/c1-16-13-5-3-2-4-10(13)9-6-7-11(14)12(15)8-9/h2-8H
InChIKeyMZGDXPDQOPLKCG-UHFFFAOYSA-N
MW215.20 g/mol
LogP4.18
Rot. Bonds1

About 1,2-difluoro-4-(2-isocyanophenyl)benzene

1,2-difluoro-4-(2-isocyanophenyl)benzene (PubChem CID 176914767) has the molecular formula C13H7F2N and a molecular weight of 215.20 g/mol. Its IUPAC name is 1,2-difluoro-4-(2-isocyanophenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(2-isocyanophenyl)benzene
PubChem CID176914767
Molecular FormulaC13H7F2N
Molecular Weight215.20 g/mol
Exact Mass215.05
IUPAC Name1,2-difluoro-4-(2-isocyanophenyl)benzene
SMILES[C-]#[N+]c1ccccc1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H7F2N/c1-16-13-5-3-2-4-10(13)9-6-7-11(14)12(15)8-9/h2-8H
InChIKeyMZGDXPDQOPLKCG-UHFFFAOYSA-N
XLogP4.18
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(2-isocyanophenyl)benzene?
The IUPAC name of 1,2-difluoro-4-(2-isocyanophenyl)benzene (CID 176914767) is 1,2-difluoro-4-(2-isocyanophenyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(2-isocyanophenyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(2-isocyanophenyl)benzene is [C-]#[N+]c1ccccc1-c1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-(2-isocyanophenyl)benzene?
The InChIKey is MZGDXPDQOPLKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N/c1-16-13-5-3-2-4-10(13)9-6-7-11(14)12(15)8-9/h2-8H.
What are the key properties of 1,2-difluoro-4-(2-isocyanophenyl)benzene?
1,2-difluoro-4-(2-isocyanophenyl)benzene has a molecular weight of 215.20 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(2-isocyanophenyl)benzene is sourced from PubChem (CID 176914767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).