ethyl 2,2-difluoro-3-prop-2-enoxypropanoate

C8H12F2O3 — CID 165466610

IUPACethyl 2,2-difluoro-3-prop-2-enoxypropanoate
SMILESC=CCOCC(F)(F)C(=O)OCC
InChIInChI=1S/C8H12F2O3/c1-3-5-12-6-8(9,10)7(11)13-4-2/h3H,1,4-6H2,2H3
InChIKeySUDABMTXVTWPFB-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.39
Rot. Bonds6

About ethyl 2,2-difluoro-3-prop-2-enoxypropanoate

ethyl 2,2-difluoro-3-prop-2-enoxypropanoate (PubChem CID 165466610) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-prop-2-enoxypropanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-prop-2-enoxypropanoate
PubChem CID165466610
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Nameethyl 2,2-difluoro-3-prop-2-enoxypropanoate
SMILESC=CCOCC(F)(F)C(=O)OCC
InChIInChI=1S/C8H12F2O3/c1-3-5-12-6-8(9,10)7(11)13-4-2/h3H,1,4-6H2,2H3
InChIKeySUDABMTXVTWPFB-UHFFFAOYSA-N
XLogP1.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate
CID 165462467
ethyl 2,2-difluoro-3-[methyl(prop-2-enyl)amino]propanoate
CID 165461961
ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate
CID 165466612
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
ethyl 4-chloro-2,2-difluoro-4-oxobutanoate
CID 139536341
diethyl 2,2,9,9-tetrafluorodecanedioate
CID 10065200
ethyl 2-fluoro-2-phosphanylbut-3-enoate
CID 126490595
ethyl 2-acetyl-2-fluoropent-4-enoate
CID 15372207
diethyl 2-amino-2-but-3-enylpropanedioate
CID 62705267
ethyl 2,2-dimethylhex-5-enoate
CID 14906730
diethyl 2-hydroxy-2-(3,3,3-trifluoro-2-oxopropyl)propanedioate
CID 174437324
ethyl 2,2-difluoro-4-methoxybutanoate
CID 154655517

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-prop-2-enoxypropanoate?
The IUPAC name of ethyl 2,2-difluoro-3-prop-2-enoxypropanoate (CID 165466610) is ethyl 2,2-difluoro-3-prop-2-enoxypropanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-prop-2-enoxypropanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-prop-2-enoxypropanoate is C=CCOCC(F)(F)C(=O)OCC.
What is the InChIKey of ethyl 2,2-difluoro-3-prop-2-enoxypropanoate?
The InChIKey is SUDABMTXVTWPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c1-3-5-12-6-8(9,10)7(11)13-4-2/h3H,1,4-6H2,2H3.
What are the key properties of ethyl 2,2-difluoro-3-prop-2-enoxypropanoate?
ethyl 2,2-difluoro-3-prop-2-enoxypropanoate has a molecular weight of 194.18 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-prop-2-enoxypropanoate is sourced from PubChem (CID 165466610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).