4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one

C10H12F4O4 — CID 154962665

IUPAC4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one
SMILESCCCC1(OC/C=C(/F)C(F)(F)F)COC(=O)O1
InChIInChI=1S/C10H12F4O4/c1-2-4-9(6-16-8(15)18-9)17-5-3-7(11)10(12,13)14/h3H,2,4-6H2,1H3/b7-3+
InChIKeyMSCQLTVAUYHDBY-XVNBXDOJSA-N
MW272.19 g/mol
LogP3.08
Rot. Bonds5

About 4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one

4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one (PubChem CID 154962665) has the molecular formula C10H12F4O4 and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one
PubChem CID154962665
Molecular FormulaC10H12F4O4
Molecular Weight272.19 g/mol
Exact Mass272.07
IUPAC Name4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one
SMILESCCCC1(OC/C=C(/F)C(F)(F)F)COC(=O)O1
InChIInChI=1S/C10H12F4O4/c1-2-4-9(6-16-8(15)18-9)17-5-3-7(11)10(12,13)14/h3H,2,4-6H2,1H3/b7-3+
InChIKeyMSCQLTVAUYHDBY-XVNBXDOJSA-N
XLogP3.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one?
The IUPAC name of 4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one (CID 154962665) is 4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one?
The canonical SMILES for 4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one is CCCC1(OC/C=C(/F)C(F)(F)F)COC(=O)O1.
What is the InChIKey of 4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one?
The InChIKey is MSCQLTVAUYHDBY-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H12F4O4/c1-2-4-9(6-16-8(15)18-9)17-5-3-7(11)10(12,13)14/h3H,2,4-6H2,1H3/b7-3+.
What are the key properties of 4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one?
4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one has a molecular weight of 272.19 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one is sourced from PubChem (CID 154962665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).