2,3-dichloro-N-(3,4-difluorophenyl)aniline

C12H7Cl2F2N — CID 82536860

IUPAC2,3-dichloro-N-(3,4-difluorophenyl)aniline
SMILESFc1ccc(Nc2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C12H7Cl2F2N/c13-8-2-1-3-11(12(8)14)17-7-4-5-9(15)10(16)6-7/h1-6,17H
InChIKeyHNBHZCQLSTUNPS-UHFFFAOYSA-N
MW274.10 g/mol
LogP5.02
Rot. Bonds2

About 2,3-dichloro-N-(3,4-difluorophenyl)aniline

2,3-dichloro-N-(3,4-difluorophenyl)aniline (PubChem CID 82536860) has the molecular formula C12H7Cl2F2N and a molecular weight of 274.10 g/mol. Its IUPAC name is 2,3-dichloro-N-(3,4-difluorophenyl)aniline.

Molecular Properties

Compound Name2,3-dichloro-N-(3,4-difluorophenyl)aniline
PubChem CID82536860
Molecular FormulaC12H7Cl2F2N
Molecular Weight274.10 g/mol
Exact Mass272.99
IUPAC Name2,3-dichloro-N-(3,4-difluorophenyl)aniline
SMILESFc1ccc(Nc2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C12H7Cl2F2N/c13-8-2-1-3-11(12(8)14)17-7-4-5-9(15)10(16)6-7/h1-6,17H
InChIKeyHNBHZCQLSTUNPS-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.10
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(2,3-dichlorophenyl)-N-(3,4-difluorophenyl)oxamide
CID 108987778
4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine
CID 106750347
4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
CID 4764118
2,3-dichloro-N-(4-phenylphenyl)aniline
CID 162720595
3-chloro-1-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 113458519
2-amino-5-(2,3-dichloroanilino)benzoic acid
CID 54888225
N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072308
2,3-dichloro-N-(2,6-dichlorophenyl)aniline
CID 101290103
3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
CID 82536586
2-(3-bromo-4-fluoroanilino)-6-chlorobenzonitrile
CID 104778816
5-(2-chloroanilino)-2-fluorobenzoic acid
CID 82536969
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3,4-difluorophenyl)aniline?
The IUPAC name of 2,3-dichloro-N-(3,4-difluorophenyl)aniline (CID 82536860) is 2,3-dichloro-N-(3,4-difluorophenyl)aniline.
What is the SMILES notation for 2,3-dichloro-N-(3,4-difluorophenyl)aniline?
The canonical SMILES for 2,3-dichloro-N-(3,4-difluorophenyl)aniline is Fc1ccc(Nc2cccc(Cl)c2Cl)cc1F.
What is the InChIKey of 2,3-dichloro-N-(3,4-difluorophenyl)aniline?
The InChIKey is HNBHZCQLSTUNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2N/c13-8-2-1-3-11(12(8)14)17-7-4-5-9(15)10(16)6-7/h1-6,17H.
What are the key properties of 2,3-dichloro-N-(3,4-difluorophenyl)aniline?
2,3-dichloro-N-(3,4-difluorophenyl)aniline has a molecular weight of 274.10 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3,4-difluorophenyl)aniline is sourced from PubChem (CID 82536860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).