[4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate

C10H8F8O4 — CID 166810414

IUPAC[4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(C(F)(F)F)COC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10H8F8O4/c1-2-5(19)21-3-6(9(13,14)15)4-22-8(20,7(6,11)12)10(16,17)18/h2,20H,1,3-4H2
InChIKeyFAYGMOYFGZEIBP-UHFFFAOYSA-N
MW344.15 g/mol
LogP2.18
Rot. Bonds3

About [4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate

[4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate (PubChem CID 166810414) has the molecular formula C10H8F8O4 and a molecular weight of 344.15 g/mol. Its IUPAC name is [4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate
PubChem CID166810414
Molecular FormulaC10H8F8O4
Molecular Weight344.15 g/mol
Exact Mass344.03
IUPAC Name[4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(C(F)(F)F)COC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10H8F8O4/c1-2-5(19)21-3-6(9(13,14)15)4-22-8(20,7(6,11)12)10(16,17)18/h2,20H,1,3-4H2
InChIKeyFAYGMOYFGZEIBP-UHFFFAOYSA-N
XLogP2.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.15
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
CID 172769604
3,3-difluoro-5-methyl-5-(prop-2-enoyloxymethyl)-2-(trifluoromethyl)oxolane-2-carboxylic acid
CID 89072491
[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate
CID 166810413
(2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate
CID 156783562
(4-ethyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl prop-2-enoate
CID 71325039
[2-hydroxy-1,3,3-tris(prop-2-enoyloxymethyl)cyclohexyl]methyl prop-2-enoate
CID 68606821
[3,3,4,4,4-pentafluoro-2-(2-methyloxiran-2-yl)butyl] prop-2-enoate
CID 175386379
(1-tert-butyl-2,5-dihydroxycyclopentyl)methyl prop-2-enoate
CID 141037725
(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate
CID 70213115
(2,2-difluorooxetan-3-yl)methyl prop-2-enoate
CID 122420839
(2,3-dimethyloxetan-2-yl)methyl prop-2-enoate
CID 174904859
1-[2-(trifluoromethyl)oxiran-2-yl]propan-2-yl prop-2-enoate
CID 141274288

Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate?
The IUPAC name of [4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate (CID 166810414) is [4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate.
What is the SMILES notation for [4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate?
The canonical SMILES for [4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate is C=CC(=O)OCC1(C(F)(F)F)COC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of [4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate?
The InChIKey is FAYGMOYFGZEIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F8O4/c1-2-5(19)21-3-6(9(13,14)15)4-22-8(20,7(6,11)12)10(16,17)18/h2,20H,1,3-4H2.
What are the key properties of [4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate?
[4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate has a molecular weight of 344.15 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate is sourced from PubChem (CID 166810414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).