1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate

C5H2F6O2 — CID 140506877

IUPAC1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate
SMILESO=C(OC(F)(F)CF)C(F)=C(F)F
InChIInChI=1S/C5H2F6O2/c6-1-5(10,11)13-4(12)2(7)3(8)9/h1H2
InChIKeyILHHNWLUHNLPOI-UHFFFAOYSA-N
MW208.06 g/mol
LogP2.17
Rot. Bonds3

About 1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate

1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate (PubChem CID 140506877) has the molecular formula C5H2F6O2 and a molecular weight of 208.06 g/mol. Its IUPAC name is 1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate.

Molecular Properties

Compound Name1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate
PubChem CID140506877
Molecular FormulaC5H2F6O2
Molecular Weight208.06 g/mol
Exact Mass208.00
IUPAC Name1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate
SMILESO=C(OC(F)(F)CF)C(F)=C(F)F
InChIInChI=1S/C5H2F6O2/c6-1-5(10,11)13-4(12)2(7)3(8)9/h1H2
InChIKeyILHHNWLUHNLPOI-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2-trifluoroethyl 2-oxopropanoate
CID 87729928
1,1,2-trifluoroethyl 2-fluoroacetate
CID 151748690
1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate
CID 87871976
1,1,2-trifluoroethyl (E)-2-methylbut-2-enoate
CID 169449580
1,1,2-trifluoroethyl N-ethylcarbamate
CID 173025473
propan-2-yl 2,3,3-trifluoroprop-2-enoate
CID 13033423
1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate
CID 19741880
1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene
CID 141122711
1,1,2-trifluoroethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
CID 139915858
(3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene
CID 87774691
bis(trifluoromethyl) oxalate
CID 71350742
fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate
CID 174409170

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate?
The IUPAC name of 1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate (CID 140506877) is 1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate.
What is the SMILES notation for 1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate?
The canonical SMILES for 1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate is O=C(OC(F)(F)CF)C(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate?
The InChIKey is ILHHNWLUHNLPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O2/c6-1-5(10,11)13-4(12)2(7)3(8)9/h1H2.
What are the key properties of 1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate?
1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate has a molecular weight of 208.06 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate is sourced from PubChem (CID 140506877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).