3-fluoro-N-methyl-N-(trifluoromethyl)aniline

C8H7F4N — CID 71646904

IUPAC3-fluoro-N-methyl-N-(trifluoromethyl)aniline
SMILESCN(c1cccc(F)c1)C(F)(F)F
InChIInChI=1S/C8H7F4N/c1-13(8(10,11)12)7-4-2-3-6(9)5-7/h2-5H,1H3
InChIKeyOABZRYMAVOCXOY-UHFFFAOYSA-N
MW193.14 g/mol
LogP2.78
Rot. Bonds1

About 3-fluoro-N-methyl-N-(trifluoromethyl)aniline

3-fluoro-N-methyl-N-(trifluoromethyl)aniline (PubChem CID 71646904) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(trifluoromethyl)aniline
PubChem CID71646904
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name3-fluoro-N-methyl-N-(trifluoromethyl)aniline
SMILESCN(c1cccc(F)c1)C(F)(F)F
InChIInChI=1S/C8H7F4N/c1-13(8(10,11)12)7-4-2-3-6(9)5-7/h2-5H,1H3
InChIKeyOABZRYMAVOCXOY-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(trifluoromethyl)aniline?
The IUPAC name of 3-fluoro-N-methyl-N-(trifluoromethyl)aniline (CID 71646904) is 3-fluoro-N-methyl-N-(trifluoromethyl)aniline.
What is the SMILES notation for 3-fluoro-N-methyl-N-(trifluoromethyl)aniline?
The canonical SMILES for 3-fluoro-N-methyl-N-(trifluoromethyl)aniline is CN(c1cccc(F)c1)C(F)(F)F.
What is the InChIKey of 3-fluoro-N-methyl-N-(trifluoromethyl)aniline?
The InChIKey is OABZRYMAVOCXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N/c1-13(8(10,11)12)7-4-2-3-6(9)5-7/h2-5H,1H3.
What are the key properties of 3-fluoro-N-methyl-N-(trifluoromethyl)aniline?
3-fluoro-N-methyl-N-(trifluoromethyl)aniline has a molecular weight of 193.14 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(trifluoromethyl)aniline is sourced from PubChem (CID 71646904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).