trifluoromethyl prop-2-enoate

C4H3F3O2 — CID 10197737

IUPACtrifluoromethyl prop-2-enoate
SMILESC=CC(=O)OC(F)(F)F
InChIInChI=1S/C4H3F3O2/c1-2-3(8)9-4(5,6)7/h2H,1H2
InChIKeyZESXUEKAXSBANL-UHFFFAOYSA-N
MW140.06 g/mol
LogP1.24
Rot. Bonds1

About trifluoromethyl prop-2-enoate

trifluoromethyl prop-2-enoate (PubChem CID 10197737) has the molecular formula C4H3F3O2 and a molecular weight of 140.06 g/mol. Its IUPAC name is trifluoromethyl prop-2-enoate.

Molecular Properties

Compound Nametrifluoromethyl prop-2-enoate
PubChem CID10197737
Molecular FormulaC4H3F3O2
Molecular Weight140.06 g/mol
Exact Mass140.01
IUPAC Nametrifluoromethyl prop-2-enoate
SMILESC=CC(=O)OC(F)(F)F
InChIInChI=1S/C4H3F3O2/c1-2-3(8)9-4(5,6)7/h2H,1H2
InChIKeyZESXUEKAXSBANL-UHFFFAOYSA-N
XLogP1.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.06
LogP ≤ 51.24
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

1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate
CID 123690892
1,1,1,2-tetrafluoropropan-2-yl prop-2-enoate
CID 139659236
[1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate
CID 19824845
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
1,1,2,3,3,3-hexafluoropropyl prop-2-enoate
CID 21470424
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-hydroxypropan-2-yl prop-2-enoate
CID 22726323
tert-butyl prop-2-enoate;methanol
CID 174833528
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl) prop-2-enoate
CID 139994874
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl prop-2-enoate?
The IUPAC name of trifluoromethyl prop-2-enoate (CID 10197737) is trifluoromethyl prop-2-enoate.
What is the SMILES notation for trifluoromethyl prop-2-enoate?
The canonical SMILES for trifluoromethyl prop-2-enoate is C=CC(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl prop-2-enoate?
The InChIKey is ZESXUEKAXSBANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O2/c1-2-3(8)9-4(5,6)7/h2H,1H2.
What are the key properties of trifluoromethyl prop-2-enoate?
trifluoromethyl prop-2-enoate has a molecular weight of 140.06 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl prop-2-enoate is sourced from PubChem (CID 10197737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).