2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride

C7H5F5O2 — CID 14612888

IUPAC2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride
SMILESC=CCC(C(=O)F)(C(=O)F)C(F)(F)F
InChIInChI=1S/C7H5F5O2/c1-2-3-6(4(8)13,5(9)14)7(10,11)12/h2H,1,3H2
InChIKeySNSWDWUVBWIXFU-UHFFFAOYSA-N
MW216.10 g/mol
LogP2.10
Rot. Bonds4

About 2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride

2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride (PubChem CID 14612888) has the molecular formula C7H5F5O2 and a molecular weight of 216.10 g/mol. Its IUPAC name is 2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride.

Molecular Properties

Compound Name2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride
PubChem CID14612888
Molecular FormulaC7H5F5O2
Molecular Weight216.10 g/mol
Exact Mass216.02
IUPAC Name2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride
SMILESC=CCC(C(=O)F)(C(=O)F)C(F)(F)F
InChIInChI=1S/C7H5F5O2/c1-2-3-6(4(8)13,5(9)14)7(10,11)12/h2H,1,3H2
InChIKeySNSWDWUVBWIXFU-UHFFFAOYSA-N
XLogP2.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride?
The IUPAC name of 2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride (CID 14612888) is 2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride.
What is the SMILES notation for 2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride?
The canonical SMILES for 2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride is C=CCC(C(=O)F)(C(=O)F)C(F)(F)F.
What is the InChIKey of 2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride?
The InChIKey is SNSWDWUVBWIXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5O2/c1-2-3-6(4(8)13,5(9)14)7(10,11)12/h2H,1,3H2.
What are the key properties of 2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride?
2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride has a molecular weight of 216.10 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-(trifluoromethyl)propanedioyl difluoride is sourced from PubChem (CID 14612888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).