5-(2,2-difluoroethyl)oxolan-2-one

C6H8F2O2 — CID 67256277

IUPAC5-(2,2-difluoroethyl)oxolan-2-one
SMILESO=C1CCC(CC(F)F)O1
InChIInChI=1S/C6H8F2O2/c7-5(8)3-4-1-2-6(9)10-4/h4-5H,1-3H2
InChIKeyPWMDWRZFALYTRG-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.35
Rot. Bonds2

About 5-(2,2-difluoroethyl)oxolan-2-one

5-(2,2-difluoroethyl)oxolan-2-one (PubChem CID 67256277) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)oxolan-2-one
PubChem CID67256277
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name5-(2,2-difluoroethyl)oxolan-2-one
SMILESO=C1CCC(CC(F)F)O1
InChIInChI=1S/C6H8F2O2/c7-5(8)3-4-1-2-6(9)10-4/h4-5H,1-3H2
InChIKeyPWMDWRZFALYTRG-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(hydroxymethyl)oxolan-2-one
CID 158931038
(5S)-5-(sulfanylmethyl)oxolan-2-one
CID 59949087
(5R)-5-[(2R)-3-hydroxy-2-methoxypropyl]oxolan-2-one
CID 23238602
(5R)-5-butyloxolan-2-one
CID 7057971
5-hex-5-enyloxolan-2-one
CID 15818771
ethane;5-(hydroxymethyl)oxolan-2-one
CID 142985862
5-[3-[3-[3-(5-oxooxolan-2-yl)propylsulfanyl]propylsulfanyl]propyl]oxolan-2-one
CID 20633469
ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate
CID 21037703
4-methyl-5-(5-oxooxolan-2-yl)pentanoic acid
CID 58663282
(5S)-5-pentacosyloxolan-2-one
CID 11102176
(5S)-5-tridecyloxolan-2-one
CID 11065462
5-octyloxolan-2-one
CID 16821

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)oxolan-2-one?
The IUPAC name of 5-(2,2-difluoroethyl)oxolan-2-one (CID 67256277) is 5-(2,2-difluoroethyl)oxolan-2-one.
What is the SMILES notation for 5-(2,2-difluoroethyl)oxolan-2-one?
The canonical SMILES for 5-(2,2-difluoroethyl)oxolan-2-one is O=C1CCC(CC(F)F)O1.
What is the InChIKey of 5-(2,2-difluoroethyl)oxolan-2-one?
The InChIKey is PWMDWRZFALYTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c7-5(8)3-4-1-2-6(9)10-4/h4-5H,1-3H2.
What are the key properties of 5-(2,2-difluoroethyl)oxolan-2-one?
5-(2,2-difluoroethyl)oxolan-2-one has a molecular weight of 150.12 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)oxolan-2-one is sourced from PubChem (CID 67256277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).