2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide

C10H7F3N2O — CID 102573910

IUPAC2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide
SMILESCOc1ccc(/N=C(\C#N)C(F)(F)F)cc1
InChIInChI=1S/C10H7F3N2O/c1-16-8-4-2-7(3-5-8)15-9(6-14)10(11,12)13/h2-5H,1H3/b15-9+
InChIKeyKNIKGKOVKGYPSG-OQLLNIDSSA-N
MW228.17 g/mol
LogP2.85
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide

2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide (PubChem CID 102573910) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide
PubChem CID102573910
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide
SMILESCOc1ccc(/N=C(\C#N)C(F)(F)F)cc1
InChIInChI=1S/C10H7F3N2O/c1-16-8-4-2-7(3-5-8)15-9(6-14)10(11,12)13/h2-5H,1H3/b15-9+
InChIKeyKNIKGKOVKGYPSG-OQLLNIDSSA-N
XLogP2.85
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-N-(4-methoxyphenyl)propan-2-imine
CID 14116536
2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
CID 86064407
5,5,5-trifluoro-N-(4-methoxyphenyl)pent-3-yn-2-imine
CID 90221391
1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine
CID 10543533
1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine
CID 102053586
2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 53483171
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine
CID 177478664
2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine
CID 135006703
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
(4-methoxyphenyl)iminocyanamide
CID 12569088
[(2E,4E)-octa-2,4-dienyl] 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidate
CID 135079009
1-(2-fluorophenyl)-N-(4-methoxyphenyl)ethanimine
CID 11299513

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide (CID 102573910) is 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide is COc1ccc(/N=C(\C#N)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide?
The InChIKey is KNIKGKOVKGYPSG-OQLLNIDSSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-16-8-4-2-7(3-5-8)15-9(6-14)10(11,12)13/h2-5H,1H3/b15-9+.
What are the key properties of 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide?
2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide has a molecular weight of 228.17 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide is sourced from PubChem (CID 102573910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).