[3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate

C8H10F2O3 — CID 141277181

IUPAC[3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1OC1(F)CF
InChIInChI=1S/C8H10F2O3/c1-5(2)7(11)12-3-6-8(10,4-9)13-6/h6H,1,3-4H2,2H3
InChIKeyUXGQPKXDNHIGBT-UHFFFAOYSA-N
MW192.16 g/mol
LogP1.14
Rot. Bonds4

About [3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate

[3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate (PubChem CID 141277181) has the molecular formula C8H10F2O3 and a molecular weight of 192.16 g/mol. Its IUPAC name is [3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate
PubChem CID141277181
Molecular FormulaC8H10F2O3
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Name[3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1OC1(F)CF
InChIInChI=1S/C8H10F2O3/c1-5(2)7(11)12-3-6-8(10,4-9)13-6/h6H,1,3-4H2,2H3
InChIKeyUXGQPKXDNHIGBT-UHFFFAOYSA-N
XLogP1.14
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-chloroethenyl)-3-(2-methylprop-2-enoyloxymethyl)oxiran-2-yl]acetic acid
CID 87913855
[3,3-difluoro-4-hydroxy-4-methyl-5-(2-methylprop-2-enoyloxymethyl)-2-(trifluoromethyl)oxolan-2-yl] 2-methylpropanoate
CID 59310426
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
(3-hydroxy-3-methylcyclobutyl)methyl 2-methylprop-2-enoate
CID 156781576
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
[(1S,2R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 2-methylprop-2-enoate
CID 22826609
[(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 2-methylprop-2-enoate
CID 122376222
2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate
CID 66631874
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate
CID 163450308

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate (CID 141277181) is [3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1OC1(F)CF.
What is the InChIKey of [3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate?
The InChIKey is UXGQPKXDNHIGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O3/c1-5(2)7(11)12-3-6-8(10,4-9)13-6/h6H,1,3-4H2,2H3.
What are the key properties of [3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate?
[3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate has a molecular weight of 192.16 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 141277181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).