3-bromo-4-chloro-N-(3-fluoropropyl)aniline

C9H10BrClFN — CID 81107325

IUPAC3-bromo-4-chloro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H10BrClFN/c10-8-6-7(2-3-9(8)11)13-5-1-4-12/h2-3,6,13H,1,4-5H2
InChIKeyZGXQUJZAIDAPGA-UHFFFAOYSA-N
MW266.54 g/mol
LogP3.87
Rot. Bonds4

About 3-bromo-4-chloro-N-(3-fluoropropyl)aniline

3-bromo-4-chloro-N-(3-fluoropropyl)aniline (PubChem CID 81107325) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-fluoropropyl)aniline
PubChem CID81107325
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name3-bromo-4-chloro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H10BrClFN/c10-8-6-7(2-3-9(8)11)13-5-1-4-12/h2-3,6,13H,1,4-5H2
InChIKeyZGXQUJZAIDAPGA-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-(3-fluoropropyl)aniline
CID 81106053
3-bromo-4-chloro-N-(4-methylpentyl)aniline
CID 83155422
N-(3-bromo-4-chlorophenyl)-N'-tert-butylethane-1,2-diamine
CID 107445847
3-bromo-4-chloro-N-ethylaniline;hydrochloride
CID 68626677
4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline
CID 81106703
4-N-(3-fluoropropyl)benzene-1,2,4-triamine
CID 126976135
4-chloro-3-fluoro-N-(2-fluoroethyl)aniline
CID 80695979
3-(3-bromo-4-chloroanilino)propane-1,2-diol
CID 82850538
2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
CID 107528126
2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine
CID 163404766
3-bromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103747961
2-N-(3-bromo-4-chlorophenyl)-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 116535382

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-fluoropropyl)aniline?
The IUPAC name of 3-bromo-4-chloro-N-(3-fluoropropyl)aniline (CID 81107325) is 3-bromo-4-chloro-N-(3-fluoropropyl)aniline.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-fluoropropyl)aniline?
The canonical SMILES for 3-bromo-4-chloro-N-(3-fluoropropyl)aniline is FCCCNc1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-fluoropropyl)aniline?
The InChIKey is ZGXQUJZAIDAPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFN/c10-8-6-7(2-3-9(8)11)13-5-1-4-12/h2-3,6,13H,1,4-5H2.
What are the key properties of 3-bromo-4-chloro-N-(3-fluoropropyl)aniline?
3-bromo-4-chloro-N-(3-fluoropropyl)aniline has a molecular weight of 266.54 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-fluoropropyl)aniline is sourced from PubChem (CID 81107325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).