3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline

C8H6F5N — CID 70839125

IUPAC3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline
SMILESCNc1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C8H6F5N/c1-14-4-2-5(9)7(6(10)3-4)8(11,12)13/h2-3,14H,1H3
InChIKeyAVHSEFNAWSEQQL-UHFFFAOYSA-N
MW211.13 g/mol
LogP3.03
Rot. Bonds1

About 3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline

3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline (PubChem CID 70839125) has the molecular formula C8H6F5N and a molecular weight of 211.13 g/mol. Its IUPAC name is 3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline
PubChem CID70839125
Molecular FormulaC8H6F5N
Molecular Weight211.13 g/mol
Exact Mass211.04
IUPAC Name3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline
SMILESCNc1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C8H6F5N/c1-14-4-2-5(9)7(6(10)3-4)8(11,12)13/h2-3,14H,1H3
InChIKeyAVHSEFNAWSEQQL-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of 3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline (CID 70839125) is 3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline is CNc1cc(F)c(C(F)(F)F)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline?
The InChIKey is AVHSEFNAWSEQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N/c1-14-4-2-5(9)7(6(10)3-4)8(11,12)13/h2-3,14H,1H3.
What are the key properties of 3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline?
3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline has a molecular weight of 211.13 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 70839125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).