1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C9H12F4O3 — CID 104751840

IUPAC1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)C1CCOC1
InChIInChI=1S/C9H12F4O3/c10-8(11)9(12,13)5-16-4-7(14)6-1-2-15-3-6/h6,8H,1-5H2
InChIKeyZZXHGOKRLFYMHL-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.51
Rot. Bonds6

About 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 104751840) has the molecular formula C9H12F4O3 and a molecular weight of 244.18 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID104751840
Molecular FormulaC9H12F4O3
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)C1CCOC1
InChIInChI=1S/C9H12F4O3/c10-8(11)9(12,13)5-16-4-7(14)6-1-2-15-3-6/h6,8H,1-5H2
InChIKeyZZXHGOKRLFYMHL-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone 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 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 104751840) is 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is O=C(COCC(F)(F)C(F)F)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is ZZXHGOKRLFYMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4O3/c10-8(11)9(12,13)5-16-4-7(14)6-1-2-15-3-6/h6,8H,1-5H2.
What are the key properties of 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 244.18 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 104751840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).