3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline

C9H8F5N — CID 115257757

IUPAC3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCN(CC(F)(F)F)c1ccc(F)c(F)c1
InChIInChI=1S/C9H8F5N/c1-15(5-9(12,13)14)6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
InChIKeyOKJXTSOXMCSAIA-UHFFFAOYSA-N
MW225.16 g/mol
LogP2.96
Rot. Bonds2

About 3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline

3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 115257757) has the molecular formula C9H8F5N and a molecular weight of 225.16 g/mol. Its IUPAC name is 3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID115257757
Molecular FormulaC9H8F5N
Molecular Weight225.16 g/mol
Exact Mass225.06
IUPAC Name3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCN(CC(F)(F)F)c1ccc(F)c(F)c1
InChIInChI=1S/C9H8F5N/c1-15(5-9(12,13)14)6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
InChIKeyOKJXTSOXMCSAIA-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204315
4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257725
N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 115257828
3-(3,4-difluoro-N-methylanilino)propan-1-ol
CID 110903439
4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 78934960
2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 81281823
5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115257804
N-methyl-4-[(4-methylphenyl)-[4-[methyl(2,2,2-trifluoroethyl)amino]phenyl]methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 100990166
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257768
2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 79466601
N-methyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 60890448
3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134569

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline (CID 115257757) is 3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline is CN(CC(F)(F)F)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is OKJXTSOXMCSAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N/c1-15(5-9(12,13)14)6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3.
What are the key properties of 3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 225.16 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 115257757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).