[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate

C7H6F6O3 — CID 89110731

IUPAC[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)C(F)(F)OC(F)F
InChIInChI=1S/C7H6F6O3/c1-2-4(14)15-3-6(10,11)7(12,13)16-5(8)9/h2,5H,1,3H2
InChIKeySEFQXQJEFNGUDF-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.18
Rot. Bonds6

About [3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate

[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate (PubChem CID 89110731) has the molecular formula C7H6F6O3 and a molecular weight of 252.11 g/mol. Its IUPAC name is [3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate
PubChem CID89110731
Molecular FormulaC7H6F6O3
Molecular Weight252.11 g/mol
Exact Mass252.02
IUPAC Name[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)C(F)(F)OC(F)F
InChIInChI=1S/C7H6F6O3/c1-2-4(14)15-3-6(10,11)7(12,13)16-5(8)9/h2,5H,1,3H2
InChIKeySEFQXQJEFNGUDF-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate
CID 58030590
[2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate
CID 58122137
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
CID 3013855
[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate
CID 54319495
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate
CID 151064296
[3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate
CID 118919135
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
(3,3-difluoro-2,4,4-trimethyl-5-prop-2-enoyloxypentyl) prop-2-enoate
CID 134426860
[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl] prop-2-enoate
CID 21049849
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
[2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate
CID 87065443

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate?
The IUPAC name of [3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate (CID 89110731) is [3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate.
What is the SMILES notation for [3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate?
The canonical SMILES for [3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate is C=CC(=O)OCC(F)(F)C(F)(F)OC(F)F.
What is the InChIKey of [3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate?
The InChIKey is SEFQXQJEFNGUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6O3/c1-2-4(14)15-3-6(10,11)7(12,13)16-5(8)9/h2,5H,1,3H2.
What are the key properties of [3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate?
[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate has a molecular weight of 252.11 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate is sourced from PubChem (CID 89110731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).