2-methylprop-2-enoate;trifluoromethane

C5H5F3O2 — CID 158491697

IUPAC2-methylprop-2-enoate;trifluoromethane
SMILESC=C(C)C(=O)[O-].F[C+](F)F
InChIInChI=1S/C4H6O2.CF3/c1-3(2)4(5)6;2-1(3)4/h1H2,2H3,(H,5,6);/q;+1/p-1
InChIKeyHITUYOHIZFBOQS-UHFFFAOYSA-M
MW154.09 g/mol
LogP0.65
Rot. Bonds1

About 2-methylprop-2-enoate;trifluoromethane

2-methylprop-2-enoate;trifluoromethane (PubChem CID 158491697) has the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is 2-methylprop-2-enoate;trifluoromethane.

Molecular Properties

Compound Name2-methylprop-2-enoate;trifluoromethane
PubChem CID158491697
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name2-methylprop-2-enoate;trifluoromethane
SMILESC=C(C)C(=O)[O-].F[C+](F)F
InChIInChI=1S/C4H6O2.CF3/c1-3(2)4(5)6;2-1(3)4/h1H2,2H3,(H,5,6);/q;+1/p-1
InChIKeyHITUYOHIZFBOQS-UHFFFAOYSA-M
XLogP0.65
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoate
CID 19005746
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
bis(2-methylprop-2-enoate);samarium
CID 175299700
sodium;ethene;2-methylprop-2-enoate
CID 23688925
calcium;2-methylprop-2-enoate;chloride
CID 174912380
chromium(3+);2-methylprop-2-enoate;chloride
CID 19738661
CID 159432817
CID 159432817
tris(cyclododecane);bis(2-methylprop-2-enoate)
CID 22328247
potassium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 23715908
sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 159840606
2-methylprop-2-enoate isocyanate
CID 86653408

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoate;trifluoromethane?
The IUPAC name of 2-methylprop-2-enoate;trifluoromethane (CID 158491697) is 2-methylprop-2-enoate;trifluoromethane.
What is the SMILES notation for 2-methylprop-2-enoate;trifluoromethane?
The canonical SMILES for 2-methylprop-2-enoate;trifluoromethane is C=C(C)C(=O)[O-].F[C+](F)F.
What is the InChIKey of 2-methylprop-2-enoate;trifluoromethane?
The InChIKey is HITUYOHIZFBOQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O2.CF3/c1-3(2)4(5)6;2-1(3)4/h1H2,2H3,(H,5,6);/q;+1/p-1.
What are the key properties of 2-methylprop-2-enoate;trifluoromethane?
2-methylprop-2-enoate;trifluoromethane has a molecular weight of 154.09 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoate;trifluoromethane is sourced from PubChem (CID 158491697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).