3,4-dichloro-N-(3-fluoropropyl)aniline

C9H10Cl2FN — CID 81106053

IUPAC3,4-dichloro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2FN/c10-8-3-2-7(6-9(8)11)13-5-1-4-12/h2-3,6,13H,1,4-5H2
InChIKeyMZVOGBOSMTWKRF-UHFFFAOYSA-N
MW222.09 g/mol
LogP3.76
Rot. Bonds4

About 3,4-dichloro-N-(3-fluoropropyl)aniline

3,4-dichloro-N-(3-fluoropropyl)aniline (PubChem CID 81106053) has the molecular formula C9H10Cl2FN and a molecular weight of 222.09 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name3,4-dichloro-N-(3-fluoropropyl)aniline
PubChem CID81106053
Molecular FormulaC9H10Cl2FN
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name3,4-dichloro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2FN/c10-8-3-2-7(6-9(8)11)13-5-1-4-12/h2-3,6,13H,1,4-5H2
InChIKeyMZVOGBOSMTWKRF-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.76
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-bromo-4-chloro-N-(3-fluoropropyl)aniline
CID 81107325
6-(3,4-dichloroanilino)hexan-1-ol
CID 103801947
3,4-dichloro-N-(3-ethylsulfonylpropyl)aniline
CID 65093988
N-benzyl-N'-(3,4-dichlorophenyl)propane-1,3-diamine
CID 70963511
5-(3,4-dichloroanilino)-N'-hydroxypentanimidamide
CID 77026091
4-N-(3-fluoropropyl)benzene-1,2,4-triamine
CID 126976135
4-chloro-3-fluoro-N-(2-fluoroethyl)aniline
CID 80695979
N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine
CID 54805609
2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
CID 107528126
N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 54806440
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
N'-(3-chloro-4-methylphenyl)butane-1,4-diamine
CID 94256638

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-fluoropropyl)aniline?
The IUPAC name of 3,4-dichloro-N-(3-fluoropropyl)aniline (CID 81106053) is 3,4-dichloro-N-(3-fluoropropyl)aniline.
What is the SMILES notation for 3,4-dichloro-N-(3-fluoropropyl)aniline?
The canonical SMILES for 3,4-dichloro-N-(3-fluoropropyl)aniline is FCCCNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(3-fluoropropyl)aniline?
The InChIKey is MZVOGBOSMTWKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FN/c10-8-3-2-7(6-9(8)11)13-5-1-4-12/h2-3,6,13H,1,4-5H2.
What are the key properties of 3,4-dichloro-N-(3-fluoropropyl)aniline?
3,4-dichloro-N-(3-fluoropropyl)aniline has a molecular weight of 222.09 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3-fluoropropyl)aniline is sourced from PubChem (CID 81106053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).