ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate

C9H13FO4 — CID 135010848

IUPACethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate
SMILESCCOC(=O)/C(F)=C1\CC(OC)CO1
InChIInChI=1S/C9H13FO4/c1-3-13-9(11)8(10)7-4-6(12-2)5-14-7/h6H,3-5H2,1-2H3/b8-7-
InChIKeyKGFZTCOKHNCYIF-FPLPWBNLSA-N
MW204.20 g/mol
LogP1.17
Rot. Bonds3

About ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate

ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate (PubChem CID 135010848) has the molecular formula C9H13FO4 and a molecular weight of 204.20 g/mol. Its IUPAC name is ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate
PubChem CID135010848
Molecular FormulaC9H13FO4
Molecular Weight204.20 g/mol
Exact Mass204.08
IUPAC Nameethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate
SMILESCCOC(=O)/C(F)=C1\CC(OC)CO1
InChIInChI=1S/C9H13FO4/c1-3-13-9(11)8(10)7-4-6(12-2)5-14-7/h6H,3-5H2,1-2H3/b8-7-
InChIKeyKGFZTCOKHNCYIF-FPLPWBNLSA-N
XLogP1.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-4-acetyloxy-2-[(4R)-5-fluoro-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-2H-furan-3-yl] acetate
CID 177852013
methyl (2E)-2-[(3S,4S)-4-methoxy-3-methyloxolan-2-ylidene]acetate
CID 11286887
Ascorbic acid, permethyl-
CID 22947141
methyl (2E)-2-[(3S,4R)-3,4-dimethoxyoxolan-2-ylidene]acetate
CID 11788906
methyl (2E)-2-[(3R,4R)-4-methoxy-3-methyloxolan-2-ylidene]acetate
CID 15923539
methyl (2E)-2-[(4S)-4-methoxyoxolan-2-ylidene]acetate
CID 101144102
2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate
CID 10899362
ethyl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate
CID 11183058
ethyl (2E)-2-[(4S)-4-methoxyoxolan-2-ylidene]acetate
CID 101144101
(3-Acetyloxy-5-methyl-4-oxofuran-2-yl)methyl acetate
CID 101287948
methyl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate
CID 102383195
propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate
CID 121216093

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate (CID 135010848) is ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate is CCOC(=O)/C(F)=C1\CC(OC)CO1.
What is the InChIKey of ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate?
The InChIKey is KGFZTCOKHNCYIF-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H13FO4/c1-3-13-9(11)8(10)7-4-6(12-2)5-14-7/h6H,3-5H2,1-2H3/b8-7-.
What are the key properties of ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate?
ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate has a molecular weight of 204.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate is sourced from PubChem (CID 135010848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).