5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline

C14H10F5N — CID 165458251

IUPAC5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
SMILESCc1c(N)cc(-c2ccc(F)c(F)c2)cc1C(F)(F)F
InChIInChI=1S/C14H10F5N/c1-7-10(14(17,18)19)4-9(6-13(7)20)8-2-3-11(15)12(16)5-8/h2-6H,20H2,1H3
InChIKeyIOWQGEIAVSSNPX-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.54
Rot. Bonds1

About 5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline

5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline (PubChem CID 165458251) has the molecular formula C14H10F5N and a molecular weight of 287.23 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
PubChem CID165458251
Molecular FormulaC14H10F5N
Molecular Weight287.23 g/mol
Exact Mass287.07
IUPAC Name5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
SMILESCc1c(N)cc(-c2ccc(F)c(F)c2)cc1C(F)(F)F
InChIInChI=1S/C14H10F5N/c1-7-10(14(17,18)19)4-9(6-13(7)20)8-2-3-11(15)12(16)5-8/h2-6H,20H2,1H3
InChIKeyIOWQGEIAVSSNPX-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.54
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-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of 5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline (CID 165458251) is 5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline is Cc1c(N)cc(-c2ccc(F)c(F)c2)cc1C(F)(F)F.
What is the InChIKey of 5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline?
The InChIKey is IOWQGEIAVSSNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N/c1-7-10(14(17,18)19)4-9(6-13(7)20)8-2-3-11(15)12(16)5-8/h2-6H,20H2,1H3.
What are the key properties of 5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline?
5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline has a molecular weight of 287.23 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 165458251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).