ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine

C13H15F4N — CID 168887293

IUPACethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine
SMILESC=N/C(=C\C)c1ccc(C(F)(F)F)cc1F.CC
InChIInChI=1S/C11H9F4N.C2H6/c1-3-10(16-2)8-5-4-7(6-9(8)12)11(13,14)15;1-2/h3-6H,2H2,1H3;1-2H3/b10-3-;
InChIKeyHFZNYRHBBQUNAO-HVHUWTQGSA-N
MW261.26 g/mol
LogP4.93
Rot. Bonds2

About ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine

ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine (PubChem CID 168887293) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine
PubChem CID168887293
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Nameethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine
SMILESC=N/C(=C\C)c1ccc(C(F)(F)F)cc1F.CC
InChIInChI=1S/C11H9F4N.C2H6/c1-3-10(16-2)8-5-4-7(6-9(8)12)11(13,14)15;1-2/h3-6H,2H2,1H3;1-2H3/b10-3-;
InChIKeyHFZNYRHBBQUNAO-HVHUWTQGSA-N
XLogP4.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4-[2-fluoro-4-(trifluoromethyl)phenyl]buta-1,3-diene-1,1,4-triamine
CID 178030367
2-fluoro-N'-hydroxy-N-methyl-4-(trifluoromethyl)-N-[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]benzenecarboximidamide
CID 129271791
2-fluoro-1-[(Z)-prop-1-enyl]-4-(trifluoromethyl)benzene
CID 156793075
1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylbutan-1-one
CID 123240524
2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene
CID 135178558
2-fluoro-3-[2-fluoro-4-(trifluoromethyl)phenyl]-3-oxopropanenitrile
CID 142428684
cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 175669824
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene
CID 168993279
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine
CID 130239193
N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide
CID 22347130
1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine
CID 157203273
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide
CID 137362061

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine?
The IUPAC name of ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine (CID 168887293) is ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine.
What is the SMILES notation for ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine?
The canonical SMILES for ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine is C=N/C(=C\C)c1ccc(C(F)(F)F)cc1F.CC.
What is the InChIKey of ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine?
The InChIKey is HFZNYRHBBQUNAO-HVHUWTQGSA-N. The full InChI is InChI=1S/C11H9F4N.C2H6/c1-3-10(16-2)8-5-4-7(6-9(8)12)11(13,14)15;1-2/h3-6H,2H2,1H3;1-2H3/b10-3-;.
What are the key properties of ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine?
ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine has a molecular weight of 261.26 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine is sourced from PubChem (CID 168887293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).