1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone

C8H12F2O3 — CID 150204283

IUPAC1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone
SMILESCOCC(=O)C1CCC(C(F)F)O1
InChIInChI=1S/C8H12F2O3/c1-12-4-5(11)6-2-3-7(13-6)8(9)10/h6-8H,2-4H2,1H3
InChIKeyFQDNIBPYJXOAGW-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.01
Rot. Bonds4

About 1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone

1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone (PubChem CID 150204283) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone
PubChem CID150204283
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone
SMILESCOCC(=O)C1CCC(C(F)F)O1
InChIInChI=1S/C8H12F2O3/c1-12-4-5(11)6-2-3-7(13-6)8(9)10/h6-8H,2-4H2,1H3
InChIKeyFQDNIBPYJXOAGW-UHFFFAOYSA-N
XLogP1.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone?
The IUPAC name of 1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone (CID 150204283) is 1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone?
The canonical SMILES for 1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone is COCC(=O)C1CCC(C(F)F)O1.
What is the InChIKey of 1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone?
The InChIKey is FQDNIBPYJXOAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c1-12-4-5(11)6-2-3-7(13-6)8(9)10/h6-8H,2-4H2,1H3.
What are the key properties of 1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone?
1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone has a molecular weight of 194.18 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)oxolan-2-yl]-2-methoxyethanone is sourced from PubChem (CID 150204283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).