2-chloro-N-(2,2-difluoroethyl)-6-methylaniline

C9H10ClF2N — CID 66251946

IUPAC2-chloro-N-(2,2-difluoroethyl)-6-methylaniline
SMILESCc1cccc(Cl)c1NCC(F)F
InChIInChI=1S/C9H10ClF2N/c1-6-3-2-4-7(10)9(6)13-5-8(11)12/h2-4,8,13H,5H2,1H3
InChIKeyNEFYNGLVKRDHAB-UHFFFAOYSA-N
MW205.64 g/mol
LogP3.33
Rot. Bonds3

About 2-chloro-N-(2,2-difluoroethyl)-6-methylaniline

2-chloro-N-(2,2-difluoroethyl)-6-methylaniline (PubChem CID 66251946) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)-6-methylaniline
PubChem CID66251946
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name2-chloro-N-(2,2-difluoroethyl)-6-methylaniline
SMILESCc1cccc(Cl)c1NCC(F)F
InChIInChI=1S/C9H10ClF2N/c1-6-3-2-4-7(10)9(6)13-5-8(11)12/h2-4,8,13H,5H2,1H3
InChIKeyNEFYNGLVKRDHAB-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
3-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
CID 115405373
2-amino-3-(2-chloro-6-methylanilino)propanoic acid
CID 103256039
2,3-dichloro-N-(2,2-difluoroethyl)aniline
CID 60921632
3-(2-chloro-6-methylanilino)propan-1-ol
CID 18324834
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
2-chloro-N-dodecyl-6-methylaniline
CID 66252343
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464
2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
CID 66251264
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 66253887

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-6-methylaniline?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-6-methylaniline (CID 66251946) is 2-chloro-N-(2,2-difluoroethyl)-6-methylaniline.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)-6-methylaniline?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)-6-methylaniline is Cc1cccc(Cl)c1NCC(F)F.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)-6-methylaniline?
The InChIKey is NEFYNGLVKRDHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c1-6-3-2-4-7(10)9(6)13-5-8(11)12/h2-4,8,13H,5H2,1H3.
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)-6-methylaniline?
2-chloro-N-(2,2-difluoroethyl)-6-methylaniline has a molecular weight of 205.64 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-difluoroethyl)-6-methylaniline is sourced from PubChem (CID 66251946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).