2,4-dichloro-5-fluoro-N-propylaniline

C9H10Cl2FN — CID 171793161

IUPAC2,4-dichloro-5-fluoro-N-propylaniline
SMILESCCCNc1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2FN/c1-2-3-13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3H2,1H3
InChIKeyQIFYLAOPGXQCTR-UHFFFAOYSA-N
MW222.09 g/mol
LogP3.95
Rot. Bonds3

About 2,4-dichloro-5-fluoro-N-propylaniline

2,4-dichloro-5-fluoro-N-propylaniline (PubChem CID 171793161) has the molecular formula C9H10Cl2FN and a molecular weight of 222.09 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-propylaniline.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-propylaniline
PubChem CID171793161
Molecular FormulaC9H10Cl2FN
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name2,4-dichloro-5-fluoro-N-propylaniline
SMILESCCCNc1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2FN/c1-2-3-13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3H2,1H3
InChIKeyQIFYLAOPGXQCTR-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-propylaniline?
The IUPAC name of 2,4-dichloro-5-fluoro-N-propylaniline (CID 171793161) is 2,4-dichloro-5-fluoro-N-propylaniline.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-propylaniline?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-propylaniline is CCCNc1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-propylaniline?
The InChIKey is QIFYLAOPGXQCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FN/c1-2-3-13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3H2,1H3.
What are the key properties of 2,4-dichloro-5-fluoro-N-propylaniline?
2,4-dichloro-5-fluoro-N-propylaniline has a molecular weight of 222.09 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-propylaniline is sourced from PubChem (CID 171793161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).