2,3-dichloro-N-(3-fluoropropyl)aniline

C9H10Cl2FN — CID 81106558

IUPAC2,3-dichloro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1cccc(Cl)c1Cl
InChIInChI=1S/C9H10Cl2FN/c10-7-3-1-4-8(9(7)11)13-6-2-5-12/h1,3-4,13H,2,5-6H2
InChIKeyMHZDLNPUXKPGJP-UHFFFAOYSA-N
MW222.09 g/mol
LogP3.76
Rot. Bonds4

About 2,3-dichloro-N-(3-fluoropropyl)aniline

2,3-dichloro-N-(3-fluoropropyl)aniline (PubChem CID 81106558) has the molecular formula C9H10Cl2FN and a molecular weight of 222.09 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name2,3-dichloro-N-(3-fluoropropyl)aniline
PubChem CID81106558
Molecular FormulaC9H10Cl2FN
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name2,3-dichloro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1cccc(Cl)c1Cl
InChIInChI=1S/C9H10Cl2FN/c10-7-3-1-4-8(9(7)11)13-6-2-5-12/h1,3-4,13H,2,5-6H2
InChIKeyMHZDLNPUXKPGJP-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

2,3-dichloro-N-(4-phenylbutyl)aniline
CID 114333166
5-(2,3-dichloroanilino)pentanoic acid
CID 28972138
N'-(2-chloro-3-fluorophenyl)propane-1,3-diamine
CID 164647580
3-(2,3-dichloroanilino)propanenitrile
CID 39243546
2,3-dichloro-N-(2,2-difluoroethyl)aniline
CID 60921632
N-(2,3-dichlorophenyl)-N'-(2,5-dichlorophenyl)ethane-1,2-diamine
CID 54809670
N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 54806246
3-(2,3-dichloroanilino)propanamide
CID 43152512
2,3-dichloro-N-pent-3-ynylaniline
CID 104744100
2-bromo-N-(3-fluoropropyl)aniline
CID 81105386
2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
CID 107528126
5-chloro-2-fluoro-N-(3-fluoropropyl)aniline
CID 81107052

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-fluoropropyl)aniline?
The IUPAC name of 2,3-dichloro-N-(3-fluoropropyl)aniline (CID 81106558) is 2,3-dichloro-N-(3-fluoropropyl)aniline.
What is the SMILES notation for 2,3-dichloro-N-(3-fluoropropyl)aniline?
The canonical SMILES for 2,3-dichloro-N-(3-fluoropropyl)aniline is FCCCNc1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(3-fluoropropyl)aniline?
The InChIKey is MHZDLNPUXKPGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FN/c10-7-3-1-4-8(9(7)11)13-6-2-5-12/h1,3-4,13H,2,5-6H2.
What are the key properties of 2,3-dichloro-N-(3-fluoropropyl)aniline?
2,3-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 2,3-dichloro-N-(3-fluoropropyl)aniline is sourced from PubChem (CID 81106558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).