2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline

C15H11F5N2 — CID 9466517

IUPAC2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline
SMILESFc1c(F)c(F)c(N/N=C\CCc2ccccc2)c(F)c1F
InChIInChI=1S/C15H11F5N2/c16-10-11(17)13(19)15(14(20)12(10)18)22-21-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,22H,4,7H2/b21-8-
InChIKeyKVGMGVUOLOECSV-WNFQYIGGSA-N
MW314.26 g/mol
LogP4.41
Rot. Bonds5

About 2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline

2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline (PubChem CID 9466517) has the molecular formula C15H11F5N2 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline
PubChem CID9466517
Molecular FormulaC15H11F5N2
Molecular Weight314.26 g/mol
Exact Mass314.08
IUPAC Name2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline
SMILESFc1c(F)c(F)c(N/N=C\CCc2ccccc2)c(F)c1F
InChIInChI=1S/C15H11F5N2/c16-10-11(17)13(19)15(14(20)12(10)18)22-21-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,22H,4,7H2/b21-8-
InChIKeyKVGMGVUOLOECSV-WNFQYIGGSA-N
XLogP4.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 6167481
(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
CID 10534827
3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid
CID 110841503
1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea
CID 6231259
N'-(3-phenylpropylideneamino)oxamide
CID 4674915
3,6-dichloro-N-[(E)-3-phenylpropylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 134095920
N-methoxy-3-phenylpropan-1-imine
CID 73200493
2-cyano-N-(3-phenylpropylideneamino)acetamide
CID 5104820
N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide
CID 6256748
N-[(E)-[(5Z)-5-(phenylhydrazinylidene)pentylidene]amino]aniline
CID 92534205
4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 9070990
N-(3-phenylpropylideneamino)dodecanamide
CID 3728089

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline (CID 9466517) is 2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline is Fc1c(F)c(F)c(N/N=C\CCc2ccccc2)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline?
The InChIKey is KVGMGVUOLOECSV-WNFQYIGGSA-N. The full InChI is InChI=1S/C15H11F5N2/c16-10-11(17)13(19)15(14(20)12(10)18)22-21-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,22H,4,7H2/b21-8-.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline?
2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline has a molecular weight of 314.26 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline is sourced from PubChem (CID 9466517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).