trifluoromethyl 2-(trifluoromethyl)prop-2-enoate

C5H2F6O2 — CID 141294123

IUPACtrifluoromethyl 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F6O2/c1-2(4(6,7)8)3(12)13-5(9,10)11/h1H2
InChIKeyDZRFKMIXZFZEQO-UHFFFAOYSA-N
MW208.06 g/mol
LogP2.17
Rot. Bonds1

About trifluoromethyl 2-(trifluoromethyl)prop-2-enoate

trifluoromethyl 2-(trifluoromethyl)prop-2-enoate (PubChem CID 141294123) has the molecular formula C5H2F6O2 and a molecular weight of 208.06 g/mol. Its IUPAC name is trifluoromethyl 2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Nametrifluoromethyl 2-(trifluoromethyl)prop-2-enoate
PubChem CID141294123
Molecular FormulaC5H2F6O2
Molecular Weight208.06 g/mol
Exact Mass208.00
IUPAC Nametrifluoromethyl 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F6O2/c1-2(4(6,7)8)3(12)13-5(9,10)11/h1H2
InChIKeyDZRFKMIXZFZEQO-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

Methyl perfluoromethacrylate
CID 12701
1,1,1,2,3,3,3-Heptafluoropropan-2-yl 2-methylprop-2-enoate
CID 21918080
Methyl 2-(trifluoromethyl)acrylate
CID 2782391
Trifluoromethyl methacrylate
CID 91889
Methacrylic acid (heptafluoropropyl) ester
CID 18697467
Methacrylic acid 1-(difluoromethyl)-1,2,2,2-tetrafluoroethyl ester
CID 21894093
Pentafluoropropylmethacrylate
CID 22598615
Methacrylic acid (1,1,2,2-tetrafluoropropyl) ester
CID 22598616
Octafluoromethyl methacrylate
CID 23067825
Methacrylic acid (1,1,2-trifluoroethyl) ester
CID 23443674
Methyl-a-(difluoro-methyl)acrylate
CID 53688418
Perfluoroisopropyl alpha-fluoroacrylate
CID 13980927

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of trifluoromethyl 2-(trifluoromethyl)prop-2-enoate (CID 141294123) is trifluoromethyl 2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for trifluoromethyl 2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for trifluoromethyl 2-(trifluoromethyl)prop-2-enoate is C=C(C(=O)OC(F)(F)F)C(F)(F)F.
What is the InChIKey of trifluoromethyl 2-(trifluoromethyl)prop-2-enoate?
The InChIKey is DZRFKMIXZFZEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O2/c1-2(4(6,7)8)3(12)13-5(9,10)11/h1H2.
What are the key properties of trifluoromethyl 2-(trifluoromethyl)prop-2-enoate?
trifluoromethyl 2-(trifluoromethyl)prop-2-enoate has a molecular weight of 208.06 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 141294123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).