2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline

C14H7F7N2 — CID 6291151

IUPAC2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFc1cc(F)c(F)c(N/N=C\c2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C14H7F7N2/c15-9-5-10(16)12(18)13(11(9)17)23-22-6-7-3-1-2-4-8(7)14(19,20)21/h1-6,23H/b22-6-
InChIKeyNNKYPDQPGIIXEM-HCDFXORVSA-N
MW336.21 g/mol
LogP4.71
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline

2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 6291151) has the molecular formula C14H7F7N2 and a molecular weight of 336.21 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID6291151
Molecular FormulaC14H7F7N2
Molecular Weight336.21 g/mol
Exact Mass336.05
IUPAC Name2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFc1cc(F)c(F)c(N/N=C\c2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C14H7F7N2/c15-9-5-10(16)12(18)13(11(9)17)23-22-6-7-3-1-2-4-8(7)14(19,20)21/h1-6,23H/b22-6-
InChIKeyNNKYPDQPGIIXEM-HCDFXORVSA-N
XLogP4.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 4113252
2,3,5,6-tetrafluoro-N-[(Z)-(2-fluorophenyl)methylideneamino]aniline
CID 6013048
3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935
3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 9060609
2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 136672918
3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 6294934
2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline
CID 6260448
4-methyl-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135520022
6-N-phenyl-2-N,4-N-bis[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-2,4,6-triamine
CID 139976380
4-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135483293
2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 3458864
2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5165965

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 6291151) is 2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline is Fc1cc(F)c(F)c(N/N=C\c2ccccc2C(F)(F)F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is NNKYPDQPGIIXEM-HCDFXORVSA-N. The full InChI is InChI=1S/C14H7F7N2/c15-9-5-10(16)12(18)13(11(9)17)23-22-6-7-3-1-2-4-8(7)14(19,20)21/h1-6,23H/b22-6-.
What are the key properties of 2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline has a molecular weight of 336.21 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 6291151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).