4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one

C6H7F3O3 — CID 163608086

IUPAC4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESCCC1OC(=O)OC1C(F)(F)F
InChIInChI=1S/C6H7F3O3/c1-2-3-4(6(7,8)9)12-5(10)11-3/h3-4H,2H2,1H3
InChIKeyHDNHNLSKEVEZRY-UHFFFAOYSA-N
MW184.11 g/mol
LogP1.86
Rot. Bonds1

About 4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one

4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 163608086) has the molecular formula C6H7F3O3 and a molecular weight of 184.11 g/mol. Its IUPAC name is 4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID163608086
Molecular FormulaC6H7F3O3
Molecular Weight184.11 g/mol
Exact Mass184.03
IUPAC Name4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESCCC1OC(=O)OC1C(F)(F)F
InChIInChI=1S/C6H7F3O3/c1-2-3-4(6(7,8)9)12-5(10)11-3/h3-4H,2H2,1H3
InChIKeyHDNHNLSKEVEZRY-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one (CID 163608086) is 4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one is CCC1OC(=O)OC1C(F)(F)F.
What is the InChIKey of 4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is HDNHNLSKEVEZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O3/c1-2-3-4(6(7,8)9)12-5(10)11-3/h3-4H,2H2,1H3.
What are the key properties of 4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 184.11 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 163608086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).