2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile

C17H11F6N3 — CID 135028209

IUPAC2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile
SMILESN#CC(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F6N3/c18-16(19,20)13-5-1-11(2-6-13)10-25-26-15(9-24)12-3-7-14(8-4-12)17(21,22)23/h1-8,10,15,26H/b25-10+
InChIKeyUVSUZZDKACBJKY-KIBLKLHPSA-N
MW371.28 g/mol
LogP4.91
Rot. Bonds4

About 2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile

2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile (PubChem CID 135028209) has the molecular formula C17H11F6N3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile
PubChem CID135028209
Molecular FormulaC17H11F6N3
Molecular Weight371.28 g/mol
Exact Mass371.09
IUPAC Name2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile
SMILESN#CC(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F6N3/c18-16(19,20)13-5-1-11(2-6-13)10-25-26-15(9-24)12-3-7-14(8-4-12)17(21,22)23/h1-8,10,15,26H/b25-10+
InChIKeyUVSUZZDKACBJKY-KIBLKLHPSA-N
XLogP4.91
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile
CID 135042866
(6R)-3,6-bis(3-fluorophenyl)-1,4,5,6-tetrahydropyridazine
CID 139167712
1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanamine
CID 177866182
Benzaldehyde, 4-butyl-, 2-[(4-hexylphenyl)methylene]hydrazone
CID 9589423
Benzaldehyde, 4-octyl-, 2-[(4-propylphenyl)methylene]hydrazone
CID 9589425
Benzaldehyde, 4-hexyl-, 2-((4-propylphenyl)methylene)hydrazone
CID 9589421
5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazole
CID 20071784
1-(2,4-Difluorophenyl)-1,2-dihydrophthalazine
CID 23299794
1-[4-(Trifluoromethyl)phenyl]-1,2-dihydrophthalazine
CID 23299850
N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine
CID 59855251
N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine
CID 66619847
(1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine
CID 70002280

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile (CID 135028209) is 2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile is N#CC(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile?
The InChIKey is UVSUZZDKACBJKY-KIBLKLHPSA-N. The full InChI is InChI=1S/C17H11F6N3/c18-16(19,20)13-5-1-11(2-6-13)10-25-26-15(9-24)12-3-7-14(8-4-12)17(21,22)23/h1-8,10,15,26H/b25-10+.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile?
2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile has a molecular weight of 371.28 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile is sourced from PubChem (CID 135028209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).