2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline

C8H7ClF3N — CID 83081590

IUPAC2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
SMILESFCCNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C8H7ClF3N/c9-6-3-5(11)4-7(12)8(6)13-2-1-10/h3-4,13H,1-2H2
InChIKeyIUSQJWADOLTWFO-UHFFFAOYSA-N
MW209.60 g/mol
LogP3.00
Rot. Bonds3

About 2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline

2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline (PubChem CID 83081590) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
PubChem CID83081590
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
SMILESFCCNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C8H7ClF3N/c9-6-3-5(11)4-7(12)8(6)13-2-1-10/h3-4,13H,1-2H2
InChIKeyIUSQJWADOLTWFO-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
4-(2-chloro-4,6-difluoroanilino)butan-1-ol
CID 83081105
3-(2-chloro-4,6-difluoroanilino)propanenitrile
CID 83081189
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
CID 83079484
2,4,6-trichloro-N-(2-fluoroethyl)aniline
CID 80694020
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852
2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
CID 82889250
6-(2-chloro-4,6-difluoroanilino)hexanoic acid
CID 83082133
2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
CID 83088365
2-chloro-N-[(E)-4-chlorobut-2-enyl]-4,6-difluoroaniline
CID 83087178
2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 83073516
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline (CID 83081590) is 2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline is FCCNc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline?
The InChIKey is IUSQJWADOLTWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c9-6-3-5(11)4-7(12)8(6)13-2-1-10/h3-4,13H,1-2H2.
What are the key properties of 2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline?
2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline has a molecular weight of 209.60 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline is sourced from PubChem (CID 83081590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).