4-amino-2,5-difluorobenzonitrile

C7H4F2N2 — CID 2735900

IUPAC4-amino-2,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(N)cc1F
InChIInChI=1S/C7H4F2N2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2
InChIKeyLAPGMTOHOQPDGI-UHFFFAOYSA-N
MW154.12 g/mol
LogP1.42
Rot. Bonds

About 4-amino-2,5-difluorobenzonitrile

4-amino-2,5-difluorobenzonitrile (PubChem CID 2735900) has the molecular formula C7H4F2N2 and a molecular weight of 154.12 g/mol. Its IUPAC name is 4-amino-2,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-amino-2,5-difluorobenzonitrile
PubChem CID2735900
Molecular FormulaC7H4F2N2
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name4-amino-2,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(N)cc1F
InChIInChI=1S/C7H4F2N2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2
InChIKeyLAPGMTOHOQPDGI-UHFFFAOYSA-N
XLogP1.42
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,5-difluorobenzonitrile?
The IUPAC name of 4-amino-2,5-difluorobenzonitrile (CID 2735900) is 4-amino-2,5-difluorobenzonitrile.
What is the SMILES notation for 4-amino-2,5-difluorobenzonitrile?
The canonical SMILES for 4-amino-2,5-difluorobenzonitrile is N#Cc1cc(F)c(N)cc1F.
What is the InChIKey of 4-amino-2,5-difluorobenzonitrile?
The InChIKey is LAPGMTOHOQPDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2.
What are the key properties of 4-amino-2,5-difluorobenzonitrile?
4-amino-2,5-difluorobenzonitrile has a molecular weight of 154.12 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,5-difluorobenzonitrile is sourced from PubChem (CID 2735900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).