4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine

C11H18F3N — CID 142360122

IUPAC4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine
SMILESC/C(=C\N=C\CCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H18F3N/c1-9(10(2,3)4)8-15-7-5-6-11(12,13)14/h7-8H,5-6H2,1-4H3/b9-8+,15-7+
InChIKeyMIUYWWMSPVMDRQ-ZGKCIRJHSA-N
MW221.27 g/mol
LogP4.35
Rot. Bonds3

About 4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine

4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine (PubChem CID 142360122) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine
PubChem CID142360122
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine
SMILESC/C(=C\N=C\CCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H18F3N/c1-9(10(2,3)4)8-15-7-5-6-11(12,13)14/h7-8H,5-6H2,1-4H3/b9-8+,15-7+
InChIKeyMIUYWWMSPVMDRQ-ZGKCIRJHSA-N
XLogP4.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine with MolForge

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Related Compounds

N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine
CID 123912308
N-[(E)-2,3-dimethylbut-1-enyl]-4,4,4-trifluorobutan-1-imine;ethane
CID 142399738
1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine
CID 167253340
N-[(E)-2,3-dimethylbut-1-enyl]-4,4,4-trifluorobutan-1-imine
CID 142399739
N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine
CID 143084952
2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine
CID 59179868
2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine
CID 123666403
2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine
CID 130388445
N-[(E)-2,3,3-trimethylbut-1-enyl]propan-1-imine
CID 132180271
N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine
CID 167019087

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine?
The IUPAC name of 4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine (CID 142360122) is 4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine.
What is the SMILES notation for 4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine?
The canonical SMILES for 4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine is C/C(=C\N=C\CCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine?
The InChIKey is MIUYWWMSPVMDRQ-ZGKCIRJHSA-N. The full InChI is InChI=1S/C11H18F3N/c1-9(10(2,3)4)8-15-7-5-6-11(12,13)14/h7-8H,5-6H2,1-4H3/b9-8+,15-7+.
What are the key properties of 4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine?
4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine has a molecular weight of 221.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine is sourced from PubChem (CID 142360122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).