2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline

C15H10F3N — CID 135372433

IUPAC2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline
SMILESC#Cc1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3N/c1-2-11-6-3-4-9-14(11)19-13-8-5-7-12(10-13)15(16,17)18/h1,3-10,19H
InChIKeyRXMRXZLKTWIPLT-UHFFFAOYSA-N
MW261.25 g/mol
LogP4.43
Rot. Bonds2

About 2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline

2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 135372433) has the molecular formula C15H10F3N and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline
PubChem CID135372433
Molecular FormulaC15H10F3N
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline
SMILESC#Cc1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3N/c1-2-11-6-3-4-9-14(11)19-13-8-5-7-12(10-13)15(16,17)18/h1,3-10,19H
InChIKeyRXMRXZLKTWIPLT-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
1-[2-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]hydrazine
CID 87619442
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
2-nitro-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]aniline
CID 71380493
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142467925
2-(2-bromoethynyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 143581893
1-(2-ethynylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 135073242
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 112767635
N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine
CID 170512982

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline (CID 135372433) is 2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline is C#Cc1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is RXMRXZLKTWIPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N/c1-2-11-6-3-4-9-14(11)19-13-8-5-7-12(10-13)15(16,17)18/h1,3-10,19H.
What are the key properties of 2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline?
2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 261.25 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 135372433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).