4-fluoro-1-N-propylbenzene-1,2-diamine

C9H13FN2 — CID 10749621

IUPAC4-fluoro-1-N-propylbenzene-1,2-diamine
SMILESCCCNc1ccc(F)cc1N
InChIInChI=1S/C9H13FN2/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5,11H2,1H3
InChIKeyZRKLXAJXEPZWCU-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.23
Rot. Bonds3

About 4-fluoro-1-N-propylbenzene-1,2-diamine

4-fluoro-1-N-propylbenzene-1,2-diamine (PubChem CID 10749621) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 4-fluoro-1-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-propylbenzene-1,2-diamine
PubChem CID10749621
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name4-fluoro-1-N-propylbenzene-1,2-diamine
SMILESCCCNc1ccc(F)cc1N
InChIInChI=1S/C9H13FN2/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5,11H2,1H3
InChIKeyZRKLXAJXEPZWCU-UHFFFAOYSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.23
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-1-N-propylbenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-propylbenzene-1,2-diamine (CID 10749621) is 4-fluoro-1-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-propylbenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-propylbenzene-1,2-diamine is CCCNc1ccc(F)cc1N.
What is the InChIKey of 4-fluoro-1-N-propylbenzene-1,2-diamine?
The InChIKey is ZRKLXAJXEPZWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5,11H2,1H3.
What are the key properties of 4-fluoro-1-N-propylbenzene-1,2-diamine?
4-fluoro-1-N-propylbenzene-1,2-diamine has a molecular weight of 168.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 10749621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).