5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline

C14H11F4N — CID 165458244

IUPAC5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
SMILESCc1c(N)cc(-c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H11F4N/c1-8-12(14(16,17)18)6-10(7-13(8)19)9-2-4-11(15)5-3-9/h2-7H,19H2,1H3
InChIKeySQBHWXSWWPFECX-UHFFFAOYSA-N
MW269.24 g/mol
LogP4.40
Rot. Bonds1

About 5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline

5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline (PubChem CID 165458244) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
PubChem CID165458244
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
SMILESCc1c(N)cc(-c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H11F4N/c1-8-12(14(16,17)18)6-10(7-13(8)19)9-2-4-11(15)5-3-9/h2-7H,19H2,1H3
InChIKeySQBHWXSWWPFECX-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 54.40
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 5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline (CID 165458244) is 5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline is Cc1c(N)cc(-c2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline?
The InChIKey is SQBHWXSWWPFECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c1-8-12(14(16,17)18)6-10(7-13(8)19)9-2-4-11(15)5-3-9/h2-7H,19H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline?
5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline has a molecular weight of 269.24 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 165458244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).