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

C8H7Cl2F2N — CID 60921632

IUPAC2,3-dichloro-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2F2N/c9-5-2-1-3-6(8(5)10)13-4-7(11)12/h1-3,7,13H,4H2
InChIKeyQLIVUDYGBPRGIO-UHFFFAOYSA-N
MW226.05 g/mol
LogP3.67
Rot. Bonds3

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

2,3-dichloro-N-(2,2-difluoroethyl)aniline (PubChem CID 60921632) has the molecular formula C8H7Cl2F2N and a molecular weight of 226.05 g/mol. Its IUPAC name is 2,3-dichloro-N-(2,2-difluoroethyl)aniline.

Molecular Properties

Compound Name2,3-dichloro-N-(2,2-difluoroethyl)aniline
PubChem CID60921632
Molecular FormulaC8H7Cl2F2N
Molecular Weight226.05 g/mol
Exact Mass224.99
IUPAC Name2,3-dichloro-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2F2N/c9-5-2-1-3-6(8(5)10)13-4-7(11)12/h1-3,7,13H,4H2
InChIKeyQLIVUDYGBPRGIO-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.05
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575
2,3-dichloro-N-(3-fluoropropyl)aniline
CID 81106558
2-chloro-N-(2,2-difluoroethyl)-6-methylaniline
CID 66251946
3-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
CID 115405373
1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol
CID 60899997
2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 54852650
3-(2-chloroanilino)-4-(2,2-difluoroethylamino)cyclobut-3-ene-1,2-dione
CID 134334099
3-(2,3-dichloroanilino)propanenitrile
CID 39243546
N-(2,3-dichlorophenyl)hydroxylamine
CID 18942828
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

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2,2-difluoroethyl)aniline?
The IUPAC name of 2,3-dichloro-N-(2,2-difluoroethyl)aniline (CID 60921632) is 2,3-dichloro-N-(2,2-difluoroethyl)aniline.
What is the SMILES notation for 2,3-dichloro-N-(2,2-difluoroethyl)aniline?
The canonical SMILES for 2,3-dichloro-N-(2,2-difluoroethyl)aniline is FC(F)CNc1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2,2-difluoroethyl)aniline?
The InChIKey is QLIVUDYGBPRGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F2N/c9-5-2-1-3-6(8(5)10)13-4-7(11)12/h1-3,7,13H,4H2.
What are the key properties of 2,3-dichloro-N-(2,2-difluoroethyl)aniline?
2,3-dichloro-N-(2,2-difluoroethyl)aniline has a molecular weight of 226.05 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2,2-difluoroethyl)aniline is sourced from PubChem (CID 60921632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).