4-amino-3-fluorobenzonitrile;methane

C8H9FN2 — CID 174516091

IUPAC4-amino-3-fluorobenzonitrile;methane
SMILESC.N#Cc1ccc(N)c(F)c1
InChIInChI=1S/C7H5FN2.CH4/c8-6-3-5(4-9)1-2-7(6)10;/h1-3H,10H2;1H4
InChIKeyVFZJYROISMFDFL-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.92
Rot. Bonds

About 4-amino-3-fluorobenzonitrile;methane

4-amino-3-fluorobenzonitrile;methane (PubChem CID 174516091) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 4-amino-3-fluorobenzonitrile;methane.

Molecular Properties

Compound Name4-amino-3-fluorobenzonitrile;methane
PubChem CID174516091
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name4-amino-3-fluorobenzonitrile;methane
SMILESC.N#Cc1ccc(N)c(F)c1
InChIInChI=1S/C7H5FN2.CH4/c8-6-3-5(4-9)1-2-7(6)10;/h1-3H,10H2;1H4
InChIKeyVFZJYROISMFDFL-UHFFFAOYSA-N
XLogP1.92
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluorobenzonitrile;methane?
The IUPAC name of 4-amino-3-fluorobenzonitrile;methane (CID 174516091) is 4-amino-3-fluorobenzonitrile;methane.
What is the SMILES notation for 4-amino-3-fluorobenzonitrile;methane?
The canonical SMILES for 4-amino-3-fluorobenzonitrile;methane is C.N#Cc1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluorobenzonitrile;methane?
The InChIKey is VFZJYROISMFDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2.CH4/c8-6-3-5(4-9)1-2-7(6)10;/h1-3H,10H2;1H4.
What are the key properties of 4-amino-3-fluorobenzonitrile;methane?
4-amino-3-fluorobenzonitrile;methane has a molecular weight of 152.17 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluorobenzonitrile;methane is sourced from PubChem (CID 174516091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).