2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline

C14H6F8N2 — CID 134097959

IUPAC2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFc1c(F)c(F)c(N/N=C/c2ccc(C(F)(F)F)cc2)c(F)c1F
InChIInChI=1S/C14H6F8N2/c15-8-9(16)11(18)13(12(19)10(8)17)24-23-5-6-1-3-7(4-2-6)14(20,21)22/h1-5,24H/b23-5+
InChIKeySYWDOGBVZRGLPB-MUDSWDHVSA-N
MW354.20 g/mol
LogP4.85
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline

2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 134097959) has the molecular formula C14H6F8N2 and a molecular weight of 354.20 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID134097959
Molecular FormulaC14H6F8N2
Molecular Weight354.20 g/mol
Exact Mass354.04
IUPAC Name2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFc1c(F)c(F)c(N/N=C/c2ccc(C(F)(F)F)cc2)c(F)c1F
InChIInChI=1S/C14H6F8N2/c15-8-9(16)11(18)13(12(19)10(8)17)24-23-5-6-1-3-7(4-2-6)14(20,21)22/h1-5,24H/b23-5+
InChIKeySYWDOGBVZRGLPB-MUDSWDHVSA-N
XLogP4.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 54.85
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

2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline
CID 14933363
2,3,4,5,6-pentafluoro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
CID 9466477
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 134123873
2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 3511340
N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973
N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
CID 164880427
2,3,5,6-tetrafluoro-N-[(4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 5004757
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803
N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 134123964
2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 75665244
2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 9466391

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 134097959) is 2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline is Fc1c(F)c(F)c(N/N=C/c2ccc(C(F)(F)F)cc2)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is SYWDOGBVZRGLPB-MUDSWDHVSA-N. The full InChI is InChI=1S/C14H6F8N2/c15-8-9(16)11(18)13(12(19)10(8)17)24-23-5-6-1-3-7(4-2-6)14(20,21)22/h1-5,24H/b23-5+.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline has a molecular weight of 354.20 g/mol, XLogP of 4.85, 3 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-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 134097959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).