(5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one

C9H11F3O3 — CID 11287523

IUPAC(5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one
SMILESCC(C)C1(C)OC(=O)O/C1=C\C(F)(F)F
InChIInChI=1S/C9H11F3O3/c1-5(2)8(3)6(4-9(10,11)12)14-7(13)15-8/h4-5H,1-3H3/b6-4-
InChIKeyZEHFZZBILVNPJD-XQRVVYSFSA-N
MW224.18 g/mol
LogP3.01
Rot. Bonds1

About (5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one

(5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one (PubChem CID 11287523) has the molecular formula C9H11F3O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is (5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one
PubChem CID11287523
Molecular FormulaC9H11F3O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name(5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one
SMILESCC(C)C1(C)OC(=O)O/C1=C\C(F)(F)F
InChIInChI=1S/C9H11F3O3/c1-5(2)8(3)6(4-9(10,11)12)14-7(13)15-8/h4-5H,1-3H3/b6-4-
InChIKeyZEHFZZBILVNPJD-XQRVVYSFSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one with MolForge

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Related Compounds

4,4-dimethyl-6-propan-2-yl-1,3-dioxin-2-one
CID 69479764
2-methyl-5-methylidene-2-propan-2-yl-1,3-dioxane-4,6-dione
CID 139694656
1,7-dimethyl-2,4,6-trioxabicyclo[5.2.0]non-8-ene-3,5-dione
CID 88785660
4,4,5,5,6,6-hexa(propan-2-yl)-1,3-dioxan-2-one
CID 164934214
5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one
CID 134949090
4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one
CID 175396832
4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one
CID 151184122
(E)-2,3-bis[3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl]but-2-enediamide
CID 134328745
[(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate
CID 142318564
(4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one
CID 129363477
4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one
CID 150250693
4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
CID 12534588

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one?
The IUPAC name of (5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one (CID 11287523) is (5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one.
What is the SMILES notation for (5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one?
The canonical SMILES for (5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one is CC(C)C1(C)OC(=O)O/C1=C\C(F)(F)F.
What is the InChIKey of (5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one?
The InChIKey is ZEHFZZBILVNPJD-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H11F3O3/c1-5(2)8(3)6(4-9(10,11)12)14-7(13)15-8/h4-5H,1-3H3/b6-4-.
What are the key properties of (5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one?
(5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one has a molecular weight of 224.18 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethylidene)-1,3-dioxolan-2-one is sourced from PubChem (CID 11287523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).