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

C13H6F6N2 — CID 14933363

IUPAC2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline
SMILESFc1ccc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H6F6N2/c14-7-3-1-6(2-4-7)5-20-21-13-11(18)9(16)8(15)10(17)12(13)19/h1-5,21H/b20-5+
InChIKeySXUMMIROJIGOKW-DENHBWNVSA-N
MW304.19 g/mol
LogP3.97
Rot. Bonds3

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

2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline (PubChem CID 14933363) has the molecular formula C13H6F6N2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline
PubChem CID14933363
Molecular FormulaC13H6F6N2
Molecular Weight304.19 g/mol
Exact Mass304.04
IUPAC Name2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline
SMILESFc1ccc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H6F6N2/c14-7-3-1-6(2-4-7)5-20-21-13-11(18)9(16)8(15)10(17)12(13)19/h1-5,21H/b20-5+
InChIKeySXUMMIROJIGOKW-DENHBWNVSA-N
XLogP3.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.97
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-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 134097959
2,3,4,5,6-pentafluoro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
CID 9466477
2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 9466391
2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 9466515
4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 7955579
2,3,4,5,6-pentafluoro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 5080899
2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 136672918
1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[(4-fluorophenyl)methylideneamino]urea
CID 5383880
2,3,5,6-tetrafluoro-N-[(4-nitrophenyl)methylideneamino]aniline
CID 3888449
2-ethoxy-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 4012909
N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
CID 169381600
4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110506234

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline (CID 14933363) is 2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline is Fc1ccc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline?
The InChIKey is SXUMMIROJIGOKW-DENHBWNVSA-N. The full InChI is InChI=1S/C13H6F6N2/c14-7-3-1-6(2-4-7)5-20-21-13-11(18)9(16)8(15)10(17)12(13)19/h1-5,21H/b20-5+.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline?
2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline has a molecular weight of 304.19 g/mol, XLogP of 3.97, 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-fluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 14933363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).