3-(4-fluoro-3-iodophenyl)propan-1-amine

C9H11FIN — CID 170867706

IUPAC3-(4-fluoro-3-iodophenyl)propan-1-amine
SMILESNCCCc1ccc(F)c(I)c1
InChIInChI=1S/C9H11FIN/c10-8-4-3-7(2-1-5-12)6-9(8)11/h3-4,6H,1-2,5,12H2
InChIKeyHAGLNGKKPMBVNX-UHFFFAOYSA-N
MW279.10 g/mol
LogP2.32
Rot. Bonds3

About 3-(4-fluoro-3-iodophenyl)propan-1-amine

3-(4-fluoro-3-iodophenyl)propan-1-amine (PubChem CID 170867706) has the molecular formula C9H11FIN and a molecular weight of 279.10 g/mol. Its IUPAC name is 3-(4-fluoro-3-iodophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-iodophenyl)propan-1-amine
PubChem CID170867706
Molecular FormulaC9H11FIN
Molecular Weight279.10 g/mol
Exact Mass278.99
IUPAC Name3-(4-fluoro-3-iodophenyl)propan-1-amine
SMILESNCCCc1ccc(F)c(I)c1
InChIInChI=1S/C9H11FIN/c10-8-4-3-7(2-1-5-12)6-9(8)11/h3-4,6H,1-2,5,12H2
InChIKeyHAGLNGKKPMBVNX-UHFFFAOYSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-iodophenyl)propan-1-amine?
The IUPAC name of 3-(4-fluoro-3-iodophenyl)propan-1-amine (CID 170867706) is 3-(4-fluoro-3-iodophenyl)propan-1-amine.
What is the SMILES notation for 3-(4-fluoro-3-iodophenyl)propan-1-amine?
The canonical SMILES for 3-(4-fluoro-3-iodophenyl)propan-1-amine is NCCCc1ccc(F)c(I)c1.
What is the InChIKey of 3-(4-fluoro-3-iodophenyl)propan-1-amine?
The InChIKey is HAGLNGKKPMBVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FIN/c10-8-4-3-7(2-1-5-12)6-9(8)11/h3-4,6H,1-2,5,12H2.
What are the key properties of 3-(4-fluoro-3-iodophenyl)propan-1-amine?
3-(4-fluoro-3-iodophenyl)propan-1-amine has a molecular weight of 279.10 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-iodophenyl)propan-1-amine is sourced from PubChem (CID 170867706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).