potassium 2-(trifluoromethyl)prop-2-enoate

C4H2F3KO2 — CID 88657790

IUPACpotassium 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)[O-])C(F)(F)F.[K+]
InChIInChI=1S/C4H3F3O2.K/c1-2(3(8)9)4(5,6)7;/h1H2,(H,8,9);/q;+1/p-1
InChIKeyMSJWBEDWTCELTO-UHFFFAOYSA-M
MW178.15 g/mol
LogP-3.14
Rot. Bonds1

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

potassium 2-(trifluoromethyl)prop-2-enoate (PubChem CID 88657790) has the molecular formula C4H2F3KO2 and a molecular weight of 178.15 g/mol. Its IUPAC name is potassium 2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Namepotassium 2-(trifluoromethyl)prop-2-enoate
PubChem CID88657790
Molecular FormulaC4H2F3KO2
Molecular Weight178.15 g/mol
Exact Mass177.96
IUPAC Namepotassium 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)[O-])C(F)(F)F.[K+]
InChIInChI=1S/C4H3F3O2.K/c1-2(3(8)9)4(5,6)7;/h1H2,(H,8,9);/q;+1/p-1
InChIKeyMSJWBEDWTCELTO-UHFFFAOYSA-M
XLogP-3.14
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-3.14
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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Frequently Asked Questions

What is the IUPAC name of potassium 2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of potassium 2-(trifluoromethyl)prop-2-enoate (CID 88657790) is potassium 2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for potassium 2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for potassium 2-(trifluoromethyl)prop-2-enoate is C=C(C(=O)[O-])C(F)(F)F.[K+].
What is the InChIKey of potassium 2-(trifluoromethyl)prop-2-enoate?
The InChIKey is MSJWBEDWTCELTO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3F3O2.K/c1-2(3(8)9)4(5,6)7;/h1H2,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 2-(trifluoromethyl)prop-2-enoate?
potassium 2-(trifluoromethyl)prop-2-enoate has a molecular weight of 178.15 g/mol, XLogP of -3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 88657790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).