1,1-difluoronon-1-en-3-yl acetate

C11H18F2O2 — CID 11830965

IUPAC1,1-difluoronon-1-en-3-yl acetate
SMILESCCCCCCC(C=C(F)F)OC(C)=O
InChIInChI=1S/C11H18F2O2/c1-3-4-5-6-7-10(8-11(12)13)15-9(2)14/h8,10H,3-7H2,1-2H3
InChIKeyGHRHQYPWVQLZIO-UHFFFAOYSA-N
MW220.26 g/mol
LogP3.67
Rot. Bonds7

About 1,1-difluoronon-1-en-3-yl acetate

1,1-difluoronon-1-en-3-yl acetate (PubChem CID 11830965) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is 1,1-difluoronon-1-en-3-yl acetate.

Molecular Properties

Compound Name1,1-difluoronon-1-en-3-yl acetate
PubChem CID11830965
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name1,1-difluoronon-1-en-3-yl acetate
SMILESCCCCCCC(C=C(F)F)OC(C)=O
InChIInChI=1S/C11H18F2O2/c1-3-4-5-6-7-10(8-11(12)13)15-9(2)14/h8,10H,3-7H2,1-2H3
InChIKeyGHRHQYPWVQLZIO-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoronon-1-en-3-yl acetate?
The IUPAC name of 1,1-difluoronon-1-en-3-yl acetate (CID 11830965) is 1,1-difluoronon-1-en-3-yl acetate.
What is the SMILES notation for 1,1-difluoronon-1-en-3-yl acetate?
The canonical SMILES for 1,1-difluoronon-1-en-3-yl acetate is CCCCCCC(C=C(F)F)OC(C)=O.
What is the InChIKey of 1,1-difluoronon-1-en-3-yl acetate?
The InChIKey is GHRHQYPWVQLZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O2/c1-3-4-5-6-7-10(8-11(12)13)15-9(2)14/h8,10H,3-7H2,1-2H3.
What are the key properties of 1,1-difluoronon-1-en-3-yl acetate?
1,1-difluoronon-1-en-3-yl acetate has a molecular weight of 220.26 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoronon-1-en-3-yl acetate is sourced from PubChem (CID 11830965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).