4-fluoro-3-methylbenzene-1,2-diamine

C7H9FN2 — CID 22055547

IUPAC4-fluoro-3-methylbenzene-1,2-diamine
SMILESCc1c(F)ccc(N)c1N
InChIInChI=1S/C7H9FN2/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,9-10H2,1H3
InChIKeyPSGAKWLMABPVAC-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.30
Rot. Bonds

About 4-fluoro-3-methylbenzene-1,2-diamine

4-fluoro-3-methylbenzene-1,2-diamine (PubChem CID 22055547) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is 4-fluoro-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-3-methylbenzene-1,2-diamine
PubChem CID22055547
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name4-fluoro-3-methylbenzene-1,2-diamine
SMILESCc1c(F)ccc(N)c1N
InChIInChI=1S/C7H9FN2/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,9-10H2,1H3
InChIKeyPSGAKWLMABPVAC-UHFFFAOYSA-N
XLogP1.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.30
H-Bond Donors ≤ 52
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-fluoro-3-methylbenzene-1,2-diamine?
The IUPAC name of 4-fluoro-3-methylbenzene-1,2-diamine (CID 22055547) is 4-fluoro-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-3-methylbenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-3-methylbenzene-1,2-diamine is Cc1c(F)ccc(N)c1N.
What is the InChIKey of 4-fluoro-3-methylbenzene-1,2-diamine?
The InChIKey is PSGAKWLMABPVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,9-10H2,1H3.
What are the key properties of 4-fluoro-3-methylbenzene-1,2-diamine?
4-fluoro-3-methylbenzene-1,2-diamine has a molecular weight of 140.16 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 22055547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).