2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate

C8H8F2O3 — CID 154338012

IUPAC2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate
SMILESC=C(CF)C(=O)OC(=O)C(=C)CF
InChIInChI=1S/C8H8F2O3/c1-5(3-9)7(11)13-8(12)6(2)4-10/h1-4H2
InChIKeyFJCOJKZXBAXKOK-UHFFFAOYSA-N
MW190.14 g/mol
LogP1.11
Rot. Bonds4

About 2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate

2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate (PubChem CID 154338012) has the molecular formula C8H8F2O3 and a molecular weight of 190.14 g/mol. Its IUPAC name is 2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate.

Molecular Properties

Compound Name2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate
PubChem CID154338012
Molecular FormulaC8H8F2O3
Molecular Weight190.14 g/mol
Exact Mass190.04
IUPAC Name2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate
SMILESC=C(CF)C(=O)OC(=O)C(=C)CF
InChIInChI=1S/C8H8F2O3/c1-5(3-9)7(11)13-8(12)6(2)4-10/h1-4H2
InChIKeyFJCOJKZXBAXKOK-UHFFFAOYSA-N
XLogP1.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 2-(fluoromethyl)prop-2-enoate
CID 67041234
2-(fluoromethyl)prop-2-enoate
CID 18790386
2-(fluoromethyl)-N-methylprop-2-enamide
CID 90023989
bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate
CID 163449787
2-methylidenetetradecanoyl 2-methylidenetetradecanoate
CID 175288875
3-fluoro-2-(3-fluoroprop-1-en-2-yloxy)prop-1-ene
CID 23369119
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
carbonic acid;2,3-difluoroprop-1-ene
CID 135262079
dicarboxy 2-methylidenebutanedioate
CID 88642276
butanoyl 2-methylidenebutanoate
CID 170553268
bis[2-(aminomethyl)prop-2-enoyl] but-2-enedioate
CID 90924538
hydron;methyl 2-methylidenebutanoate
CID 174760127

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate?
The IUPAC name of 2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate (CID 154338012) is 2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate.
What is the SMILES notation for 2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate?
The canonical SMILES for 2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate is C=C(CF)C(=O)OC(=O)C(=C)CF.
What is the InChIKey of 2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate?
The InChIKey is FJCOJKZXBAXKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O3/c1-5(3-9)7(11)13-8(12)6(2)4-10/h1-4H2.
What are the key properties of 2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate?
2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate has a molecular weight of 190.14 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate is sourced from PubChem (CID 154338012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).