5-ethoxy-4,4-difluoropent-1-en-3-one

C7H10F2O2 — CID 87417348

IUPAC5-ethoxy-4,4-difluoropent-1-en-3-one
SMILESC=CC(=O)C(F)(F)COCC
InChIInChI=1S/C7H10F2O2/c1-3-6(10)7(8,9)5-11-4-2/h3H,1,4-5H2,2H3
InChIKeyFWYSFBGRYWGRML-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.41
Rot. Bonds5

About 5-ethoxy-4,4-difluoropent-1-en-3-one

5-ethoxy-4,4-difluoropent-1-en-3-one (PubChem CID 87417348) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 5-ethoxy-4,4-difluoropent-1-en-3-one.

Molecular Properties

Compound Name5-ethoxy-4,4-difluoropent-1-en-3-one
PubChem CID87417348
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name5-ethoxy-4,4-difluoropent-1-en-3-one
SMILESC=CC(=O)C(F)(F)COCC
InChIInChI=1S/C7H10F2O2/c1-3-6(10)7(8,9)5-11-4-2/h3H,1,4-5H2,2H3
InChIKeyFWYSFBGRYWGRML-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-ethoxy-4,4-difluoropent-1-en-3-one
CID 22473527
5-Methoxypent-1-en-3-one
CID 19814558
1-Ethoxy-5,5,5-trifluoropent-1-en-3-one
CID 22925301
1-Ethoxy-4,4-difluoropent-1-en-3-one
CID 73887173
Ethyl 2,2-difluoro-3-oxopent-4-enoate
CID 84717978
CID 88057251
CID 88057251
4-Ethoxy-1,1,1-trifluoropent-4-en-2-one
CID 89017191
1-Butoxy-5,5,5-trifluoropent-1-en-3-one
CID 140097128
(E)-1-butoxy-4,4-difluoropent-1-en-3-one
CID 155465033
5-(2,2,3,3,4,4,4-Heptafluorobutoxy)pent-1-en-3-one
CID 157414129
(E)-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,2-trifluoroethoxy)pent-1-en-3-one
CID 101348723
5-(2,2,2-Trifluoroethoxy)pent-1-en-3-one
CID 103146948

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4,4-difluoropent-1-en-3-one?
The IUPAC name of 5-ethoxy-4,4-difluoropent-1-en-3-one (CID 87417348) is 5-ethoxy-4,4-difluoropent-1-en-3-one.
What is the SMILES notation for 5-ethoxy-4,4-difluoropent-1-en-3-one?
The canonical SMILES for 5-ethoxy-4,4-difluoropent-1-en-3-one is C=CC(=O)C(F)(F)COCC.
What is the InChIKey of 5-ethoxy-4,4-difluoropent-1-en-3-one?
The InChIKey is FWYSFBGRYWGRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-3-6(10)7(8,9)5-11-4-2/h3H,1,4-5H2,2H3.
What are the key properties of 5-ethoxy-4,4-difluoropent-1-en-3-one?
5-ethoxy-4,4-difluoropent-1-en-3-one has a molecular weight of 164.15 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4,4-difluoropent-1-en-3-one is sourced from PubChem (CID 87417348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).