N-methyl-3-(trifluoromethyl)aniline

C8H8F3N — CID 2783214

IUPACN-methyl-3-(trifluoromethyl)aniline
SMILESCNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3N/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5,12H,1H3
InChIKeySRTKIHVQZYXHHJ-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.75
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)aniline

N-methyl-3-(trifluoromethyl)aniline (PubChem CID 2783214) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)aniline
PubChem CID2783214
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC NameN-methyl-3-(trifluoromethyl)aniline
SMILESCNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3N/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5,12H,1H3
InChIKeySRTKIHVQZYXHHJ-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of N-methyl-3-(trifluoromethyl)aniline (CID 2783214) is N-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-3-(trifluoromethyl)aniline is CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-3-(trifluoromethyl)aniline?
The InChIKey is SRTKIHVQZYXHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5,12H,1H3.
What are the key properties of N-methyl-3-(trifluoromethyl)aniline?
N-methyl-3-(trifluoromethyl)aniline has a molecular weight of 175.15 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 2783214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).