1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione

C7F10O2 — CID 172762743

IUPAC1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione
SMILESO=C(C(F)=C(F)F)C(F)(F)C(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C7F10O2/c8-1(3(9)10)2(18)5(11,12)6(13,14)4(19)7(15,16)17
InChIKeyLXFVQANGXYYCCB-UHFFFAOYSA-N
MW306.06 g/mol
LogP3.04
Rot. Bonds4

About 1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione

1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione (PubChem CID 172762743) has the molecular formula C7F10O2 and a molecular weight of 306.06 g/mol. Its IUPAC name is 1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione.

Molecular Properties

Compound Name1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione
PubChem CID172762743
Molecular FormulaC7F10O2
Molecular Weight306.06 g/mol
Exact Mass305.97
IUPAC Name1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione
SMILESO=C(C(F)=C(F)F)C(F)(F)C(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C7F10O2/c8-1(3(9)10)2(18)5(11,12)6(13,14)4(19)7(15,16)17
InChIKeyLXFVQANGXYYCCB-UHFFFAOYSA-N
XLogP3.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': '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 1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione?
The IUPAC name of 1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione (CID 172762743) is 1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione.
What is the SMILES notation for 1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione?
The canonical SMILES for 1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione is O=C(C(F)=C(F)F)C(F)(F)C(F)(F)C(=O)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione?
The InChIKey is LXFVQANGXYYCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F10O2/c8-1(3(9)10)2(18)5(11,12)6(13,14)4(19)7(15,16)17.
What are the key properties of 1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione?
1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione has a molecular weight of 306.06 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,4,4,6,7,7-decafluorohept-6-ene-2,5-dione is sourced from PubChem (CID 172762743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).