ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline

C19H20F3N3 — CID 143847271

IUPACethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline
SMILESC#Cc1cccc(NNC(=C)Nc2cccc(C(F)(F)F)c2)c1.CC
InChIInChI=1S/C17H14F3N3.C2H6/c1-3-13-6-4-9-16(10-13)23-22-12(2)21-15-8-5-7-14(11-15)17(18,19)20;1-2/h1,4-11,21-23H,2H2;1-2H3
InChIKeyAMGSUIBLPLHZCW-UHFFFAOYSA-N
MW347.38 g/mol
LogP5.21
Rot. Bonds5

About ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline

ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline (PubChem CID 143847271) has the molecular formula C19H20F3N3 and a molecular weight of 347.38 g/mol. Its IUPAC name is ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Nameethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline
PubChem CID143847271
Molecular FormulaC19H20F3N3
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Nameethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline
SMILESC#Cc1cccc(NNC(=C)Nc2cccc(C(F)(F)F)c2)c1.CC
InChIInChI=1S/C17H14F3N3.C2H6/c1-3-13-6-4-9-16(10-13)23-22-12(2)21-15-8-5-7-14(11-15)17(18,19)20;1-2/h1,4-11,21-23H,2H2;1-2H3
InChIKeyAMGSUIBLPLHZCW-UHFFFAOYSA-N
XLogP5.21
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.38
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethynylanilino)-3-[3-(trifluoromethyl)phenyl]urea
CID 87612797
N-[3-(trifluoromethyl)phenyl]ethanethioamide
CID 3038368
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 55958188
3-[2-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]hydrazinyl]benzonitrile
CID 88569174
1-(3-ethynylphenyl)-3-[(3-ethynylphenyl)carbamothioylamino]thiourea
CID 2824659
1,3-bis[3-(trifluoromethyl)phenyl]thiourea
CID 2803092
1-(2,3-dimethylphenyl)-3-[3-(trifluoromethyl)anilino]thiourea
CID 8625972
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
4-tert-butyl-N-(3-ethynylphenyl)benzamide
CID 60712469
2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 135372433
1-(3-ethynylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583941

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline?
The IUPAC name of ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline (CID 143847271) is ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline is C#Cc1cccc(NNC(=C)Nc2cccc(C(F)(F)F)c2)c1.CC.
What is the InChIKey of ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline?
The InChIKey is AMGSUIBLPLHZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3.C2H6/c1-3-13-6-4-9-16(10-13)23-22-12(2)21-15-8-5-7-14(11-15)17(18,19)20;1-2/h1,4-11,21-23H,2H2;1-2H3.
What are the key properties of ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline?
ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline has a molecular weight of 347.38 g/mol, XLogP of 5.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-[2-(3-ethynylphenyl)hydrazinyl]ethenyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 143847271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).