4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline

C10H10F5N — CID 142133027

IUPAC4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline
SMILESCNc1ccc(C(C)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H10F5N/c1-9(11,12)6-3-4-8(16-2)7(5-6)10(13,14)15/h3-5,16H,1-2H3
InChIKeyCGDXZDCPARRDLR-UHFFFAOYSA-N
MW239.19 g/mol
LogP3.86
Rot. Bonds2

About 4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline

4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline (PubChem CID 142133027) has the molecular formula C10H10F5N and a molecular weight of 239.19 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline
PubChem CID142133027
Molecular FormulaC10H10F5N
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline
SMILESCNc1ccc(C(C)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H10F5N/c1-9(11,12)6-3-4-8(16-2)7(5-6)10(13,14)15/h3-5,16H,1-2H3
InChIKeyCGDXZDCPARRDLR-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 58823062
N,2,3-trimethyl-4-(trifluoromethyl)aniline
CID 70839196
N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 63961442
2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 11506603
4-tert-butyl-2-(trifluoromethyl)phenol
CID 12652102
4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 164671862
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396
[1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane
CID 162549759
2-methoxy-N-methyl-5-(trifluoromethyl)aniline
CID 21307264
4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053482
N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
CID 62171664

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline (CID 142133027) is 4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline is CNc1ccc(C(C)(F)F)cc1C(F)(F)F.
What is the InChIKey of 4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline?
The InChIKey is CGDXZDCPARRDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N/c1-9(11,12)6-3-4-8(16-2)7(5-6)10(13,14)15/h3-5,16H,1-2H3.
What are the key properties of 4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline?
4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline has a molecular weight of 239.19 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-N-methyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 142133027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).