3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine

C10H16F3N — CID 145484252

IUPAC3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine
SMILESCC/C(=C\N=C(/C)C(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-5-9(10(11,12)13)6-14-8(4)7(2)3/h6-7H,5H2,1-4H3/b9-6+,14-8+
InChIKeyOKOFPYSNSJZFRE-LOEGBLIASA-N
MW207.24 g/mol
LogP3.96
Rot. Bonds3

About 3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine

3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine (PubChem CID 145484252) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine
PubChem CID145484252
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine
SMILESCC/C(=C\N=C(/C)C(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-5-9(10(11,12)13)6-14-8(4)7(2)3/h6-7H,5H2,1-4H3/b9-6+,14-8+
InChIKeyOKOFPYSNSJZFRE-LOEGBLIASA-N
XLogP3.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.96
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

1,1-difluoro-3-methyl-N-[(Z)-3-methylbut-1-enyl]butan-2-imine
CID 139305458
N-[(E)-2,3-dimethylbut-1-enyl]-4,4,4-trifluorobutan-1-imine;ethane
CID 142399738
N-[(E)-2-(trifluoromethyl)but-1-enyl]propan-2-imine
CID 143519473
1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine
CID 143956271
N-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]butan-2-imine
CID 155416552
ethane;1,1,1-trifluoro-N-[(1Z)-2-methylbuta-1,3-dienyl]propan-2-imine
CID 155731310
3-fluoro-3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
CID 156394922
1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine
CID 167253340
(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine
CID 170107280
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613
ethane;N-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]propan-2-imine
CID 172242050
1,1,1-trifluoro-3-methyl-N-[(Z)-3-methylidenepent-1-enyl]pentan-2-imine
CID 174202549

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine?
The IUPAC name of 3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine (CID 145484252) is 3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine.
What is the SMILES notation for 3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine?
The canonical SMILES for 3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine is CC/C(=C\N=C(/C)C(C)C)C(F)(F)F.
What is the InChIKey of 3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine?
The InChIKey is OKOFPYSNSJZFRE-LOEGBLIASA-N. The full InChI is InChI=1S/C10H16F3N/c1-5-9(10(11,12)13)6-14-8(4)7(2)3/h6-7H,5H2,1-4H3/b9-6+,14-8+.
What are the key properties of 3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine?
3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine has a molecular weight of 207.24 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine is sourced from PubChem (CID 145484252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).