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

C6H5F6N — CID 134891490

IUPAC1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine
SMILESC/C=C/N=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F6N/c1-2-3-13-4(5(7,8)9)6(10,11)12/h2-3H,1H3/b3-2+
InChIKeyJUQDHRKRBJBNFW-NSCUHMNNSA-N
MW205.10 g/mol
LogP3.09
Rot. Bonds1

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

1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine (PubChem CID 134891490) has the molecular formula C6H5F6N and a molecular weight of 205.10 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine
PubChem CID134891490
Molecular FormulaC6H5F6N
Molecular Weight205.10 g/mol
Exact Mass205.03
IUPAC Name1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine
SMILESC/C=C/N=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F6N/c1-2-3-13-4(5(7,8)9)6(10,11)12/h2-3H,1H3/b3-2+
InChIKeyJUQDHRKRBJBNFW-NSCUHMNNSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 53.09
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
N-ethenyl-1,1,1-trifluoropropan-2-imine
CID 118668896
(Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride
CID 123796974
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine
CID 156570955
1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine
CID 164958696
1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 142996728
N-buta-1,3-dienyl-1,1,1-trifluoropropan-2-imine
CID 145649276

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine (CID 134891490) is 1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine is 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)-prop-1-enyl]propan-2-imine?
The InChIKey is JUQDHRKRBJBNFW-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H5F6N/c1-2-3-13-4(5(7,8)9)6(10,11)12/h2-3H,1H3/b3-2+.
What are the key properties of 1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine?
1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine has a molecular weight of 205.10 g/mol, XLogP of 3.09, 1 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)-prop-1-enyl]propan-2-imine is sourced from PubChem (CID 134891490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).