2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride

C7F10O2 — CID 54090538

IUPAC2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)C(F)(F)C(=O)C(F)=C(F)F
InChIInChI=1S/C7F10O2/c8-1(3(9)10)2(18)5(12,13)7(16,17)6(14,15)4(11)19
InChIKeyMTNONYNKMXITGC-UHFFFAOYSA-N
MW306.06 g/mol
LogP3.04
Rot. Bonds5

About 2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride

2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride (PubChem CID 54090538) has the molecular formula C7F10O2 and a molecular weight of 306.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride.

Molecular Properties

Compound Name2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride
PubChem CID54090538
Molecular FormulaC7F10O2
Molecular Weight306.06 g/mol
Exact Mass305.97
IUPAC Name2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)C(F)(F)C(=O)C(F)=C(F)F
InChIInChI=1S/C7F10O2/c8-1(3(9)10)2(18)5(12,13)7(16,17)6(14,15)4(11)19
InChIKeyMTNONYNKMXITGC-UHFFFAOYSA-N
XLogP3.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.06
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride?
The IUPAC name of 2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride (CID 54090538) is 2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride.
What is the SMILES notation for 2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride?
The canonical SMILES for 2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride is O=C(F)C(F)(F)C(F)(F)C(F)(F)C(=O)C(F)=C(F)F.
What is the InChIKey of 2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride?
The InChIKey is MTNONYNKMXITGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F10O2/c8-1(3(9)10)2(18)5(12,13)7(16,17)6(14,15)4(11)19.
What are the key properties of 2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride?
2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride has a molecular weight of 306.06 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoyl fluoride is sourced from PubChem (CID 54090538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).