2-but-3-enoxy-1-(2-fluorophenyl)ethanone

C12H13FO2 — CID 62030066

IUPAC2-but-3-enoxy-1-(2-fluorophenyl)ethanone
SMILESC=CCCOCC(=O)c1ccccc1F
InChIInChI=1S/C12H13FO2/c1-2-3-8-15-9-12(14)10-6-4-5-7-11(10)13/h2,4-7H,1,3,8-9H2
InChIKeyPVMNOXLOFHZHBC-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.60
Rot. Bonds6

About 2-but-3-enoxy-1-(2-fluorophenyl)ethanone

2-but-3-enoxy-1-(2-fluorophenyl)ethanone (PubChem CID 62030066) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-but-3-enoxy-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-but-3-enoxy-1-(2-fluorophenyl)ethanone
PubChem CID62030066
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-but-3-enoxy-1-(2-fluorophenyl)ethanone
SMILESC=CCCOCC(=O)c1ccccc1F
InChIInChI=1S/C12H13FO2/c1-2-3-8-15-9-12(14)10-6-4-5-7-11(10)13/h2,4-7H,1,3,8-9H2
InChIKeyPVMNOXLOFHZHBC-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-2-pent-4-enoxyethanone
CID 79114859
2-but-3-enoxy-1-(2,4-dimethylphenyl)ethanone
CID 62031383
1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone
CID 76931527
1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62029515
1-(2-fluorophenyl)-2-prop-2-enylsulfanylethanone
CID 165439199
2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
CID 82826611
2-but-3-enoxy-1-(4-methoxyphenyl)ethanone
CID 62031391
1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone
CID 62381911
1-(2-fluorophenyl)-3-propoxypropan-1-one
CID 105085598
2-[4-(but-3-enoxymethyl)phenyl]benzoic acid
CID 63074103
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
1-(2-bromo-3-fluorophenyl)pent-4-en-1-one
CID 114974946

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-but-3-enoxy-1-(2-fluorophenyl)ethanone (CID 62030066) is 2-but-3-enoxy-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-but-3-enoxy-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-but-3-enoxy-1-(2-fluorophenyl)ethanone is C=CCCOCC(=O)c1ccccc1F.
What is the InChIKey of 2-but-3-enoxy-1-(2-fluorophenyl)ethanone?
The InChIKey is PVMNOXLOFHZHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-2-3-8-15-9-12(14)10-6-4-5-7-11(10)13/h2,4-7H,1,3,8-9H2.
What are the key properties of 2-but-3-enoxy-1-(2-fluorophenyl)ethanone?
2-but-3-enoxy-1-(2-fluorophenyl)ethanone has a molecular weight of 208.23 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 62030066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).