4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene

C7H3F9 — CID 14816571

IUPAC4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene
SMILESC=C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F9/c1-2-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h3H,1H2
InChIKeyJRCPJQVQFTXUSS-UHFFFAOYSA-N
MW258.08 g/mol
LogP3.80
Rot. Bonds3

About 4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene

4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene (PubChem CID 14816571) has the molecular formula C7H3F9 and a molecular weight of 258.08 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene
PubChem CID14816571
Molecular FormulaC7H3F9
Molecular Weight258.08 g/mol
Exact Mass258.01
IUPAC Name4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene
SMILESC=C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F9/c1-2-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h3H,1H2
InChIKeyJRCPJQVQFTXUSS-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,3,4,4,5,5-Heptafluoro-1-pentene
CID 13750142
3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene
CID 88054
3,3,4,4,4-Pentafluorobut-1-ene
CID 78990
3,3,4,4,5,5,5-Heptafluoropent-1-ene
CID 67727
3,3,4,4,5,5,6,6,7,7,7-Undecafluorohept-1-ene
CID 3019664
1H-Perfluoro-1-heptene
CID 11647677
3,3,4,4,5,5,6,6-Octafluoro-1-hexene
CID 15828066
1H-Perfluorohex-1-ene
CID 21455498
1,1,3,4,4,4-Hexafluoro-3-(trifluoromethyl)but-1-ene
CID 54420071
2,3,3,4,4,5,5,6,6,7,7-Undecafluorohept-1-ene
CID 2776137
Ethene;3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene;1,1,2,2-tetrafluoroethene
CID 176369
(1Z)-1,2,3,3,4,4,5,5,6,6,6-Undecafluorohex-1-ene
CID 14922985

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene?
The IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene (CID 14816571) is 4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene.
What is the SMILES notation for 4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene?
The canonical SMILES for 4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene is C=C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene?
The InChIKey is JRCPJQVQFTXUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F9/c1-2-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h3H,1H2.
What are the key properties of 4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene?
4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene has a molecular weight of 258.08 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene is sourced from PubChem (CID 14816571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).