1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate

C8H10F2O3 — CID 175032456

IUPAC1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)C1C(F)OC1F
InChIInChI=1S/C8H10F2O3/c1-3-5(11)12-4(2)6-7(9)13-8(6)10/h3-4,6-8H,1H2,2H3
InChIKeyKDUUDMNYCPNQLC-UHFFFAOYSA-N
MW192.16 g/mol
LogP1.34
Rot. Bonds3

About 1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate

1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate (PubChem CID 175032456) has the molecular formula C8H10F2O3 and a molecular weight of 192.16 g/mol. Its IUPAC name is 1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate
PubChem CID175032456
Molecular FormulaC8H10F2O3
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Name1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)C1C(F)OC1F
InChIInChI=1S/C8H10F2O3/c1-3-5(11)12-4(2)6-7(9)13-8(6)10/h3-4,6-8H,1H2,2H3
InChIKeyKDUUDMNYCPNQLC-UHFFFAOYSA-N
XLogP1.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dimethylarsanylethyl prop-2-enoate
CID 87979584
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate
CID 174631406
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 172734708
CID 172734708
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
5-methylhexan-2-yl prop-2-enoate
CID 151222941
1-morpholin-2-ylethyl prop-2-enoate
CID 22556289
1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate
CID 135235608
1-tris[[ethenyl(dimethyl)silyl]oxy]silylpropyl prop-2-enoate
CID 87532765
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate?
The IUPAC name of 1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate (CID 175032456) is 1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate.
What is the SMILES notation for 1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate?
The canonical SMILES for 1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate is C=CC(=O)OC(C)C1C(F)OC1F.
What is the InChIKey of 1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate?
The InChIKey is KDUUDMNYCPNQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O3/c1-3-5(11)12-4(2)6-7(9)13-8(6)10/h3-4,6-8H,1H2,2H3.
What are the key properties of 1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate?
1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate has a molecular weight of 192.16 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate is sourced from PubChem (CID 175032456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).