1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine

C8H12F3N — CID 143956271

IUPAC1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine
SMILESCC/C(=N\C=C(C)C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-4-7(8(9,10)11)12-5-6(2)3/h5H,4H2,1-3H3/b12-7+
InChIKeyKYYYJVLENGEVBX-KPKJPENVSA-N
MW179.19 g/mol
LogP3.32
Rot. Bonds2

About 1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine

1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine (PubChem CID 143956271) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine
PubChem CID143956271
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine
SMILESCC/C(=N\C=C(C)C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-4-7(8(9,10)11)12-5-6(2)3/h5H,4H2,1-3H3/b12-7+
InChIKeyKYYYJVLENGEVBX-KPKJPENVSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 53.32
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

1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine
CID 134891491
1,1,1-trifluoro-N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900846
N-[(E)-2-(trifluoromethyl)but-1-enyl]propan-2-imine
CID 143519473
ethane;N-ethenyl-1,1,1-trifluoro-3-methylbut-3-en-2-imine
CID 144349641
3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine
CID 145484252
1,1,1-trifluoro-N-(2-methylprop-1-enyl)propan-2-imine
CID 147871841
N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine
CID 152952815
N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine
CID 156740840
N-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]propan-2-imine
CID 169929591
N-[(E)-2-fluoroprop-1-enyl]butan-2-imine
CID 142207587
1,1,1-trifluoro-N-[(Z)-2-methylbut-1-enyl]propan-2-imine
CID 143508841
3,3-difluoro-N-[(1Z)-3-methylbuta-1,3-dienyl]butan-2-imine
CID 144158199

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine?
The IUPAC name of 1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine (CID 143956271) is 1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine is CC/C(=N\C=C(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine?
The InChIKey is KYYYJVLENGEVBX-KPKJPENVSA-N. The full InChI is InChI=1S/C8H12F3N/c1-4-7(8(9,10)11)12-5-6(2)3/h5H,4H2,1-3H3/b12-7+.
What are the key properties of 1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine?
1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine has a molecular weight of 179.19 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine is sourced from PubChem (CID 143956271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).