(Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine

C17H13F5N2 — CID 118579349

IUPAC(Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine
SMILESC/C(=N/N=C(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H13F5N2/c1-12(16(18,19)17(20,21)22)23-24-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3/b23-12-
InChIKeyVCGVICTULXVHEH-FMCGGJTJSA-N
MW340.30 g/mol
LogP5.10
Rot. Bonds4

About (Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine

(Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine (PubChem CID 118579349) has the molecular formula C17H13F5N2 and a molecular weight of 340.30 g/mol. Its IUPAC name is (Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine.

Molecular Properties

Compound Name(Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine
PubChem CID118579349
Molecular FormulaC17H13F5N2
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name(Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine
SMILESC/C(=N/N=C(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H13F5N2/c1-12(16(18,19)17(20,21)22)23-24-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3/b23-12-
InChIKeyVCGVICTULXVHEH-FMCGGJTJSA-N
XLogP5.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.30
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(benzhydrylideneamino)ethanimidamide
CID 11128320
2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol
CID 135775332
4-[(Z)-N-[(Z)-[(4-aminophenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]aniline
CID 6871279
1-[(Z)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 137286239
N-[(benzhydrylideneamino)-chloro-methylsilyl]-1,1-diphenylmethanimine
CID 102116978
1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]phenyl]propan-2-ol
CID 10134172
N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine
CID 4649996
2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine
CID 5474390
N-tert-butyl-1,1-diphenylmethan(15N)imine
CID 170780662
N-[(E)-(1-bromo-1,1-difluoropropan-2-ylidene)amino]benzamide
CID 167523986
1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine
CID 2460827
N-(benzhydrylideneamino)benzenecarboximidoyl cyanide
CID 165353120

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine?
The IUPAC name of (Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine (CID 118579349) is (Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine.
What is the SMILES notation for (Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine?
The canonical SMILES for (Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine is C/C(=N/N=C(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine?
The InChIKey is VCGVICTULXVHEH-FMCGGJTJSA-N. The full InChI is InChI=1S/C17H13F5N2/c1-12(16(18,19)17(20,21)22)23-24-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3/b23-12-.
What are the key properties of (Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine?
(Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine has a molecular weight of 340.30 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(benzhydrylideneamino)-3,3,4,4,4-pentafluorobutan-2-imine is sourced from PubChem (CID 118579349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).