1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine

C8H9F6N — CID 134891435

IUPAC1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine
SMILESCC(C)/C=C/N=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F6N/c1-5(2)3-4-15-6(7(9,10)11)8(12,13)14/h3-5H,1-2H3/b4-3+
InChIKeyVHMSNJRXLCXKDR-ONEGZZNKSA-N
MW233.16 g/mol
LogP3.72
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine

1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine (PubChem CID 134891435) has the molecular formula C8H9F6N and a molecular weight of 233.16 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine
PubChem CID134891435
Molecular FormulaC8H9F6N
Molecular Weight233.16 g/mol
Exact Mass233.06
IUPAC Name1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine
SMILESCC(C)/C=C/N=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F6N/c1-5(2)3-4-15-6(7(9,10)11)8(12,13)14/h3-5H,1-2H3/b4-3+
InChIKeyVHMSNJRXLCXKDR-ONEGZZNKSA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.16
LogP ≤ 53.72
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-trifluoro-N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900846
1,1-difluoro-3-methyl-N-[(Z)-3-methylbut-1-enyl]butan-2-imine
CID 139305458
ethane;N-ethenyl-1,1,1-trifluoro-3-methylbut-3-en-2-imine
CID 144349641
ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506
N-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]propan-2-imine
CID 155416551
N-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]butan-2-imine
CID 155416552
N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine
CID 156570955
N-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]propan-2-imine
CID 169929591
1,1,1-trifluoro-N-[(1Z)-3-methylbuta-1,3-dienyl]propan-2-imine
CID 144158076
3,3-difluoro-N-[(1Z)-3-methylbuta-1,3-dienyl]butan-2-imine
CID 144158199
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149507
1,1,1-trifluoro-N-[(1Z)-2-methylbuta-1,3-dienyl]propan-2-imine
CID 155731311

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine (CID 134891435) is 1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine is CC(C)/C=C/N=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine?
The InChIKey is VHMSNJRXLCXKDR-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H9F6N/c1-5(2)3-4-15-6(7(9,10)11)8(12,13)14/h3-5H,1-2H3/b4-3+.
What are the key properties of 1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine?
1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine has a molecular weight of 233.16 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine is sourced from PubChem (CID 134891435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).