2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

C14H9F6N — CID 62809900

IUPAC2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(F)c(F)c(NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9F6N/c15-10-5-11(16)13(17)12(6-10)21-7-8-2-1-3-9(4-8)14(18,19)20/h1-6,21H,7H2
InChIKeyUDLMTFBFNAZUGF-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.73
Rot. Bonds3

About 2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 62809900) has the molecular formula C14H9F6N and a molecular weight of 305.22 g/mol. Its IUPAC name is 2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID62809900
Molecular FormulaC14H9F6N
Molecular Weight305.22 g/mol
Exact Mass305.06
IUPAC Name2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(F)c(F)c(NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9F6N/c15-10-5-11(16)13(17)12(6-10)21-7-8-2-1-3-9(4-8)14(18,19)20/h1-6,21H,7H2
InChIKeyUDLMTFBFNAZUGF-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (CID 62809900) is 2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is Fc1cc(F)c(F)c(NCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is UDLMTFBFNAZUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N/c15-10-5-11(16)13(17)12(6-10)21-7-8-2-1-3-9(4-8)14(18,19)20/h1-6,21H,7H2.
What are the key properties of 2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 305.22 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 62809900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).