5-fluoro-2-(fluoromethyl)aniline

C7H7F2N — CID 91883417

IUPAC5-fluoro-2-(fluoromethyl)aniline
SMILESNc1cc(F)ccc1CF
InChIInChI=1S/C7H7F2N/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4,10H2
InChIKeyTVGREEIRDCDABB-UHFFFAOYSA-N
MW143.14 g/mol
LogP1.88
Rot. Bonds1

About 5-fluoro-2-(fluoromethyl)aniline

5-fluoro-2-(fluoromethyl)aniline (PubChem CID 91883417) has the molecular formula C7H7F2N and a molecular weight of 143.14 g/mol. Its IUPAC name is 5-fluoro-2-(fluoromethyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(fluoromethyl)aniline
PubChem CID91883417
Molecular FormulaC7H7F2N
Molecular Weight143.14 g/mol
Exact Mass143.05
IUPAC Name5-fluoro-2-(fluoromethyl)aniline
SMILESNc1cc(F)ccc1CF
InChIInChI=1S/C7H7F2N/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4,10H2
InChIKeyTVGREEIRDCDABB-UHFFFAOYSA-N
XLogP1.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-fluoro-2-(fluoromethyl)aniline?
The IUPAC name of 5-fluoro-2-(fluoromethyl)aniline (CID 91883417) is 5-fluoro-2-(fluoromethyl)aniline.
What is the SMILES notation for 5-fluoro-2-(fluoromethyl)aniline?
The canonical SMILES for 5-fluoro-2-(fluoromethyl)aniline is Nc1cc(F)ccc1CF.
What is the InChIKey of 5-fluoro-2-(fluoromethyl)aniline?
The InChIKey is TVGREEIRDCDABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4,10H2.
What are the key properties of 5-fluoro-2-(fluoromethyl)aniline?
5-fluoro-2-(fluoromethyl)aniline has a molecular weight of 143.14 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(fluoromethyl)aniline is sourced from PubChem (CID 91883417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).