4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine

C6H4F7N — CID 154520155

IUPAC4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine
SMILES[H]/N=C(\C=C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F7N/c1-2-3(14)4(7,8)5(9,10)6(11,12)13/h2,14H,1H2/b14-3+
InChIKeyFHBNDLUTHVHTID-LZWSPWQCSA-N
MW223.09 g/mol
LogP3.03
Rot. Bonds3

About 4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine

4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine (PubChem CID 154520155) has the molecular formula C6H4F7N and a molecular weight of 223.09 g/mol. Its IUPAC name is 4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine.

Molecular Properties

Compound Name4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine
PubChem CID154520155
Molecular FormulaC6H4F7N
Molecular Weight223.09 g/mol
Exact Mass223.02
IUPAC Name4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine
SMILES[H]/N=C(\C=C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F7N/c1-2-3(14)4(7,8)5(9,10)6(11,12)13/h2,14H,1H2/b14-3+
InChIKeyFHBNDLUTHVHTID-LZWSPWQCSA-N
XLogP3.03
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine?
The IUPAC name of 4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine (CID 154520155) is 4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine.
What is the SMILES notation for 4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine?
The canonical SMILES for 4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine is [H]/N=C(\C=C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine?
The InChIKey is FHBNDLUTHVHTID-LZWSPWQCSA-N. The full InChI is InChI=1S/C6H4F7N/c1-2-3(14)4(7,8)5(9,10)6(11,12)13/h2,14H,1H2/b14-3+.
What are the key properties of 4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine?
4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine has a molecular weight of 223.09 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,6-heptafluorohex-1-en-3-imine is sourced from PubChem (CID 154520155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).