2-methylidene-4-(trifluoromethyl)-1,3-dioxole

C5H3F3O2 — CID 162617710

IUPAC2-methylidene-4-(trifluoromethyl)-1,3-dioxole
SMILESC=C1OC=C(C(F)(F)F)O1
InChIInChI=1S/C5H3F3O2/c1-3-9-2-4(10-3)5(6,7)8/h2H,1H2
InChIKeyRVPZAHXSZZWGOK-UHFFFAOYSA-N
MW152.07 g/mol
LogP1.91
Rot. Bonds

About 2-methylidene-4-(trifluoromethyl)-1,3-dioxole

2-methylidene-4-(trifluoromethyl)-1,3-dioxole (PubChem CID 162617710) has the molecular formula C5H3F3O2 and a molecular weight of 152.07 g/mol. Its IUPAC name is 2-methylidene-4-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name2-methylidene-4-(trifluoromethyl)-1,3-dioxole
PubChem CID162617710
Molecular FormulaC5H3F3O2
Molecular Weight152.07 g/mol
Exact Mass152.01
IUPAC Name2-methylidene-4-(trifluoromethyl)-1,3-dioxole
SMILESC=C1OC=C(C(F)(F)F)O1
InChIInChI=1S/C5H3F3O2/c1-3-9-2-4(10-3)5(6,7)8/h2H,1H2
InChIKeyRVPZAHXSZZWGOK-UHFFFAOYSA-N
XLogP1.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 2-methylidene-4-(trifluoromethyl)-1,3-dioxole (CID 162617710) is 2-methylidene-4-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 2-methylidene-4-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 2-methylidene-4-(trifluoromethyl)-1,3-dioxole is C=C1OC=C(C(F)(F)F)O1.
What is the InChIKey of 2-methylidene-4-(trifluoromethyl)-1,3-dioxole?
The InChIKey is RVPZAHXSZZWGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3O2/c1-3-9-2-4(10-3)5(6,7)8/h2H,1H2.
What are the key properties of 2-methylidene-4-(trifluoromethyl)-1,3-dioxole?
2-methylidene-4-(trifluoromethyl)-1,3-dioxole has a molecular weight of 152.07 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 162617710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).