(E)-1-ethoxy-4-fluoropent-1-en-3-one

C7H11FO2 — CID 88569129

IUPAC(E)-1-ethoxy-4-fluoropent-1-en-3-one
SMILESCCO/C=C/C(=O)C(C)F
InChIInChI=1S/C7H11FO2/c1-3-10-5-4-7(9)6(2)8/h4-6H,3H2,1-2H3/b5-4+
InChIKeyCCDPUMVFQGWOOD-SNAWJCMRSA-N
MW146.16 g/mol
LogP1.46
Rot. Bonds4

About (E)-1-ethoxy-4-fluoropent-1-en-3-one

(E)-1-ethoxy-4-fluoropent-1-en-3-one (PubChem CID 88569129) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (E)-1-ethoxy-4-fluoropent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-ethoxy-4-fluoropent-1-en-3-one
PubChem CID88569129
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(E)-1-ethoxy-4-fluoropent-1-en-3-one
SMILESCCO/C=C/C(=O)C(C)F
InChIInChI=1S/C7H11FO2/c1-3-10-5-4-7(9)6(2)8/h4-6H,3H2,1-2H3/b5-4+
InChIKeyCCDPUMVFQGWOOD-SNAWJCMRSA-N
XLogP1.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one
CID 5709222
4-Ethoxy-1,1,1-trifluoro-3-buten-2-one
CID 2780395
(3E)-4-ethoxy-1,1-difluorobut-3-en-2-one
CID 15892723
(1E)-1-methoxy-4-methylpent-1-en-3-one
CID 18458636
3-Buten-2-one, 4-methoxy-
CID 94297
(3E)-4-Methoxy-3-buten-2-one
CID 639675
(Z)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one
CID 13418448
(1E)-1-ethoxy-4,4-difluoropent-1-en-3-one
CID 22473527
1,1,1-Trifluoro-4-methoxy-3-butene-2-one
CID 17804658
1,1,1-Trifluoro-4-methoxy-3-buten-2-one
CID 53727336
(E)-4-ethoxy-1-fluorobut-3-en-2-one
CID 88882778
4-Methoxy-3-buten-2-one
CID 643837

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxy-4-fluoropent-1-en-3-one?
The IUPAC name of (E)-1-ethoxy-4-fluoropent-1-en-3-one (CID 88569129) is (E)-1-ethoxy-4-fluoropent-1-en-3-one.
What is the SMILES notation for (E)-1-ethoxy-4-fluoropent-1-en-3-one?
The canonical SMILES for (E)-1-ethoxy-4-fluoropent-1-en-3-one is CCO/C=C/C(=O)C(C)F.
What is the InChIKey of (E)-1-ethoxy-4-fluoropent-1-en-3-one?
The InChIKey is CCDPUMVFQGWOOD-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11FO2/c1-3-10-5-4-7(9)6(2)8/h4-6H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-1-ethoxy-4-fluoropent-1-en-3-one?
(E)-1-ethoxy-4-fluoropent-1-en-3-one has a molecular weight of 146.16 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxy-4-fluoropent-1-en-3-one is sourced from PubChem (CID 88569129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).