4-fluoro-3-methyl-5-(trifluoromethyl)aniline

C8H7F4N — CID 86277674

IUPAC4-fluoro-3-methyl-5-(trifluoromethyl)aniline
SMILESCc1cc(N)cc(C(F)(F)F)c1F
InChIInChI=1S/C8H7F4N/c1-4-2-5(13)3-6(7(4)9)8(10,11)12/h2-3H,13H2,1H3
InChIKeyHNXLESNHAMSHBA-UHFFFAOYSA-N
MW193.14 g/mol
LogP2.74
Rot. Bonds

About 4-fluoro-3-methyl-5-(trifluoromethyl)aniline

4-fluoro-3-methyl-5-(trifluoromethyl)aniline (PubChem CID 86277674) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-(trifluoromethyl)aniline
PubChem CID86277674
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name4-fluoro-3-methyl-5-(trifluoromethyl)aniline
SMILESCc1cc(N)cc(C(F)(F)F)c1F
InChIInChI=1S/C8H7F4N/c1-4-2-5(13)3-6(7(4)9)8(10,11)12/h2-3H,13H2,1H3
InChIKeyHNXLESNHAMSHBA-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-3-methyl-5-(trifluoromethyl)aniline (CID 86277674) is 4-fluoro-3-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-3-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-3-methyl-5-(trifluoromethyl)aniline is Cc1cc(N)cc(C(F)(F)F)c1F.
What is the InChIKey of 4-fluoro-3-methyl-5-(trifluoromethyl)aniline?
The InChIKey is HNXLESNHAMSHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N/c1-4-2-5(13)3-6(7(4)9)8(10,11)12/h2-3H,13H2,1H3.
What are the key properties of 4-fluoro-3-methyl-5-(trifluoromethyl)aniline?
4-fluoro-3-methyl-5-(trifluoromethyl)aniline has a molecular weight of 193.14 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 86277674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).