[1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate

C7H5F7O3 — CID 19824845

IUPAC[1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate
SMILESC=CC(=O)OC(F)(F)C(F)(F)COC(F)(F)F
InChIInChI=1S/C7H5F7O3/c1-2-4(15)17-6(10,11)5(8,9)3-16-7(12,13)14/h2H,1,3H2
InChIKeyGRRXMQMCCQAVEI-UHFFFAOYSA-N
MW270.10 g/mol
LogP2.48
Rot. Bonds5

About [1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate

[1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate (PubChem CID 19824845) has the molecular formula C7H5F7O3 and a molecular weight of 270.10 g/mol. Its IUPAC name is [1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate.

Molecular Properties

Compound Name[1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate
PubChem CID19824845
Molecular FormulaC7H5F7O3
Molecular Weight270.10 g/mol
Exact Mass270.01
IUPAC Name[1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate
SMILESC=CC(=O)OC(F)(F)C(F)(F)COC(F)(F)F
InChIInChI=1S/C7H5F7O3/c1-2-4(15)17-6(10,11)5(8,9)3-16-7(12,13)14/h2H,1,3H2
InChIKeyGRRXMQMCCQAVEI-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 52.48
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

trifluoromethyl prop-2-enoate
CID 10197737
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,10-nonadecafluorodecyl prop-2-enoate
CID 87227707
(1,1,2,2,3,5,5,5-octafluoro-3-methylpentyl) prop-2-enoate
CID 175460309
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluorotetradecyl prop-2-enoate
CID 20977299
[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
[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate
CID 89110731
(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-8-prop-2-enoyloxyoctyl) prop-2-enoate
CID 175891344
1,1,2,2,3,3,4,4,5,5,6,6,7,7,12,12,12-heptadecafluorododecyl prop-2-enoate
CID 87847189
1,1,2,2,3,3,4,4,5,5,10,10,10-tridecafluorodecyl prop-2-enoate
CID 175790972
1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate
CID 123690892
tert-butyl prop-2-enoate
CID 158231977
2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602

Frequently Asked Questions

What is the IUPAC name of [1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate?
The IUPAC name of [1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate (CID 19824845) is [1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate.
What is the SMILES notation for [1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate?
The canonical SMILES for [1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate is C=CC(=O)OC(F)(F)C(F)(F)COC(F)(F)F.
What is the InChIKey of [1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate?
The InChIKey is GRRXMQMCCQAVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7O3/c1-2-4(15)17-6(10,11)5(8,9)3-16-7(12,13)14/h2H,1,3H2.
What are the key properties of [1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate?
[1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate has a molecular weight of 270.10 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate is sourced from PubChem (CID 19824845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).