2-(3-chloropropyl)-5-fluoroaniline

C9H11ClFN — CID 118853666

IUPAC2-(3-chloropropyl)-5-fluoroaniline
SMILESNc1cc(F)ccc1CCCCl
InChIInChI=1S/C9H11ClFN/c10-5-1-2-7-3-4-8(11)6-9(7)12/h3-4,6H,1-2,5,12H2
InChIKeyIPZHZXHQHXCGIA-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.58
Rot. Bonds3

About 2-(3-chloropropyl)-5-fluoroaniline

2-(3-chloropropyl)-5-fluoroaniline (PubChem CID 118853666) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-fluoroaniline
PubChem CID118853666
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name2-(3-chloropropyl)-5-fluoroaniline
SMILESNc1cc(F)ccc1CCCCl
InChIInChI=1S/C9H11ClFN/c10-5-1-2-7-3-4-8(11)6-9(7)12/h3-4,6H,1-2,5,12H2
InChIKeyIPZHZXHQHXCGIA-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropropyl)-4-fluoro-1-iodobenzene
CID 118801951
5-fluoro-2-(fluoromethyl)aniline
CID 91883417
5-fluoro-2-(3-methylbutyl)aniline
CID 105439652
1-(2-amino-4-fluorophenyl)-4-chlorobutan-2-one
CID 70088717
1-(2-amino-4-fluorophenyl)-3-chloropropan-2-one
CID 130837810
2-(3-chloropropyl)-4-fluoro-1-nitrobenzene
CID 118818885
1-(3-chloropropyl)-2,3,4-trifluorobenzene
CID 53433999
CID 6330703
CID 6330703
5-fluoro-2-(2-methylpropyl)aniline
CID 105433538
2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline
CID 64769584
3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride
CID 75366828
(2-amino-4-fluorophenyl)methanesulfinic acid
CID 174464385

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-fluoroaniline?
The IUPAC name of 2-(3-chloropropyl)-5-fluoroaniline (CID 118853666) is 2-(3-chloropropyl)-5-fluoroaniline.
What is the SMILES notation for 2-(3-chloropropyl)-5-fluoroaniline?
The canonical SMILES for 2-(3-chloropropyl)-5-fluoroaniline is Nc1cc(F)ccc1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-5-fluoroaniline?
The InChIKey is IPZHZXHQHXCGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c10-5-1-2-7-3-4-8(11)6-9(7)12/h3-4,6H,1-2,5,12H2.
What are the key properties of 2-(3-chloropropyl)-5-fluoroaniline?
2-(3-chloropropyl)-5-fluoroaniline has a molecular weight of 187.65 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-fluoroaniline is sourced from PubChem (CID 118853666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).