fluoro 2-(trifluoromethyl)prop-2-enoate

C4H2F4O2 — CID 143067074

IUPACfluoro 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)OF)C(F)(F)F
InChIInChI=1S/C4H2F4O2/c1-2(3(9)10-8)4(5,6)7/h1H2
InChIKeyFGDQFORMPQPXAD-UHFFFAOYSA-N
MW158.05 g/mol
LogP1.53
Rot. Bonds1

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

fluoro 2-(trifluoromethyl)prop-2-enoate (PubChem CID 143067074) has the molecular formula C4H2F4O2 and a molecular weight of 158.05 g/mol. Its IUPAC name is fluoro 2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Namefluoro 2-(trifluoromethyl)prop-2-enoate
PubChem CID143067074
Molecular FormulaC4H2F4O2
Molecular Weight158.05 g/mol
Exact Mass158.00
IUPAC Namefluoro 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)OF)C(F)(F)F
InChIInChI=1S/C4H2F4O2/c1-2(3(9)10-8)4(5,6)7/h1H2
InChIKeyFGDQFORMPQPXAD-UHFFFAOYSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.05
LogP ≤ 51.53
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 fluoro 2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of fluoro 2-(trifluoromethyl)prop-2-enoate (CID 143067074) is fluoro 2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for fluoro 2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for fluoro 2-(trifluoromethyl)prop-2-enoate is C=C(C(=O)OF)C(F)(F)F.
What is the InChIKey of fluoro 2-(trifluoromethyl)prop-2-enoate?
The InChIKey is FGDQFORMPQPXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4O2/c1-2(3(9)10-8)4(5,6)7/h1H2.
What are the key properties of fluoro 2-(trifluoromethyl)prop-2-enoate?
fluoro 2-(trifluoromethyl)prop-2-enoate has a molecular weight of 158.05 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 143067074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).