2-fluoroaniline;formic acid

C7H8FNO2 — CID 158878757

IUPAC2-fluoroaniline;formic acid
SMILESNc1ccccc1F.O=CO
InChIInChI=1S/C6H6FN.CH2O2/c7-5-3-1-2-4-6(5)8;2-1-3/h1-4H,8H2;1H,(H,2,3)
InChIKeyJCTRYKLXXYJFJF-UHFFFAOYSA-N
MW157.14 g/mol
LogP1.11
Rot. Bonds

About 2-fluoroaniline;formic acid

2-fluoroaniline;formic acid (PubChem CID 158878757) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 2-fluoroaniline;formic acid.

Molecular Properties

Compound Name2-fluoroaniline;formic acid
PubChem CID158878757
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name2-fluoroaniline;formic acid
SMILESNc1ccccc1F.O=CO
InChIInChI=1S/C6H6FN.CH2O2/c7-5-3-1-2-4-6(5)8;2-1-3/h1-4H,8H2;1H,(H,2,3)
InChIKeyJCTRYKLXXYJFJF-UHFFFAOYSA-N
XLogP1.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroaniline;formic acid?
The IUPAC name of 2-fluoroaniline;formic acid (CID 158878757) is 2-fluoroaniline;formic acid.
What is the SMILES notation for 2-fluoroaniline;formic acid?
The canonical SMILES for 2-fluoroaniline;formic acid is Nc1ccccc1F.O=CO.
What is the InChIKey of 2-fluoroaniline;formic acid?
The InChIKey is JCTRYKLXXYJFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN.CH2O2/c7-5-3-1-2-4-6(5)8;2-1-3/h1-4H,8H2;1H,(H,2,3).
What are the key properties of 2-fluoroaniline;formic acid?
2-fluoroaniline;formic acid has a molecular weight of 157.14 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroaniline;formic acid is sourced from PubChem (CID 158878757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).