5-ethoxy-1,1,1-trifluoropent-3-en-2-one

C7H9F3O2 — CID 167312410

IUPAC5-ethoxy-1,1,1-trifluoropent-3-en-2-one
SMILESCCOCC=CC(=O)C(F)(F)F
InChIInChI=1S/C7H9F3O2/c1-2-12-5-3-4-6(11)7(8,9)10/h3-4H,2,5H2,1H3
InChIKeyDFQFYGWDESNFTC-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.71
Rot. Bonds4

About 5-ethoxy-1,1,1-trifluoropent-3-en-2-one

5-ethoxy-1,1,1-trifluoropent-3-en-2-one (PubChem CID 167312410) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 5-ethoxy-1,1,1-trifluoropent-3-en-2-one.

Molecular Properties

Compound Name5-ethoxy-1,1,1-trifluoropent-3-en-2-one
PubChem CID167312410
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name5-ethoxy-1,1,1-trifluoropent-3-en-2-one
SMILESCCOCC=CC(=O)C(F)(F)F
InChIInChI=1S/C7H9F3O2/c1-2-12-5-3-4-6(11)7(8,9)10/h3-4H,2,5H2,1H3
InChIKeyDFQFYGWDESNFTC-UHFFFAOYSA-N
XLogP1.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 5,5,5-trifluoropent-2-enoate
CID 15104041
(E)-1,1,1-trifluoro-5-methoxypent-3-en-2-one
CID 162404686
(E)-Ethyl 6,6,6-trifluorohex-2-enoate
CID 21666955
Ethyl 4,4,5-trifluoropent-2-enoate
CID 53959413
Ethyl 6,6,6-trifluorohex-2-enoate
CID 53961854
CID 54166622
CID 54166622
6-(Trifluoromethoxy)hex-4-en-3-one
CID 57163677
Ethyl (E)-4,4,5,5-tetrafluoropent-2-enoate
CID 86691166
Ethyl (E)-4,4-difluoropent-2-enoate
CID 118534660
Ethyl 4,4,5,5-tetrafluoropent-2-enoate
CID 123355611
(E)-5-ethoxy-1,1,1-trifluoropent-3-en-2-one
CID 133703459
1,2,2-trifluoropropyl (E)-pent-2-enoate
CID 140002286

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,1,1-trifluoropent-3-en-2-one?
The IUPAC name of 5-ethoxy-1,1,1-trifluoropent-3-en-2-one (CID 167312410) is 5-ethoxy-1,1,1-trifluoropent-3-en-2-one.
What is the SMILES notation for 5-ethoxy-1,1,1-trifluoropent-3-en-2-one?
The canonical SMILES for 5-ethoxy-1,1,1-trifluoropent-3-en-2-one is CCOCC=CC(=O)C(F)(F)F.
What is the InChIKey of 5-ethoxy-1,1,1-trifluoropent-3-en-2-one?
The InChIKey is DFQFYGWDESNFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c1-2-12-5-3-4-6(11)7(8,9)10/h3-4H,2,5H2,1H3.
What are the key properties of 5-ethoxy-1,1,1-trifluoropent-3-en-2-one?
5-ethoxy-1,1,1-trifluoropent-3-en-2-one has a molecular weight of 182.14 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,1,1-trifluoropent-3-en-2-one is sourced from PubChem (CID 167312410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).