(4R,5R)-4,5-difluoro-1,3-dioxolan-2-one

C3H2F2O3 — CID 66606971

IUPAC(4R,5R)-4,5-difluoro-1,3-dioxolan-2-one
SMILESO=C1O[C@H](F)[C@@H](F)O1
InChIInChI=1S/C3H2F2O3/c4-1-2(5)8-3(6)7-1/h1-2H/t1-,2-/m0/s1
InChIKeyDSMUTQTWFHVVGQ-LWMBPPNESA-N
MW124.04 g/mol
LogP0.74
Rot. Bonds

About (4R,5R)-4,5-difluoro-1,3-dioxolan-2-one

(4R,5R)-4,5-difluoro-1,3-dioxolan-2-one (PubChem CID 66606971) has the molecular formula C3H2F2O3 and a molecular weight of 124.04 g/mol. Its IUPAC name is (4R,5R)-4,5-difluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4,5-difluoro-1,3-dioxolan-2-one
PubChem CID66606971
Molecular FormulaC3H2F2O3
Molecular Weight124.04 g/mol
Exact Mass124.00
IUPAC Name(4R,5R)-4,5-difluoro-1,3-dioxolan-2-one
SMILESO=C1O[C@H](F)[C@@H](F)O1
InChIInChI=1S/C3H2F2O3/c4-1-2(5)8-3(6)7-1/h1-2H/t1-,2-/m0/s1
InChIKeyDSMUTQTWFHVVGQ-LWMBPPNESA-N
XLogP0.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.04
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dioxolan-2-one, 4-fluoro-
CID 2769656
4,5-Difluoro-1,3-dioxolan-2-one
CID 22930964
rel-(4R,5S)-4,5-Difluoro-1,3-dioxolan-2-one
CID 10290792
1,3-Dioxolan-2-one, 4,4-difluoro-
CID 9793752
(4S,5S)-4,5-difluoro-1,3-dioxolan-2-one
CID 10129948
Trifluoroethylene carbonate
CID 23116521
(4R)-4-fluoro-1,3-dioxolan-2-one
CID 26188538
(4S)-4-fluoro-1,3-dioxolan-2-one
CID 40786959
(4S)-4,5-difluoro-1,3-dioxolan-2-one
CID 57811002
4-Fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one
CID 67043019
2,4,5-Trifluoro-1,3-dioxolane
CID 69044568
2,2,4-Trifluoro-1,3-dioxolane
CID 69046232

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-difluoro-1,3-dioxolan-2-one?
The IUPAC name of (4R,5R)-4,5-difluoro-1,3-dioxolan-2-one (CID 66606971) is (4R,5R)-4,5-difluoro-1,3-dioxolan-2-one.
What is the SMILES notation for (4R,5R)-4,5-difluoro-1,3-dioxolan-2-one?
The canonical SMILES for (4R,5R)-4,5-difluoro-1,3-dioxolan-2-one is O=C1O[C@H](F)[C@@H](F)O1.
What is the InChIKey of (4R,5R)-4,5-difluoro-1,3-dioxolan-2-one?
The InChIKey is DSMUTQTWFHVVGQ-LWMBPPNESA-N. The full InChI is InChI=1S/C3H2F2O3/c4-1-2(5)8-3(6)7-1/h1-2H/t1-,2-/m0/s1.
What are the key properties of (4R,5R)-4,5-difluoro-1,3-dioxolan-2-one?
(4R,5R)-4,5-difluoro-1,3-dioxolan-2-one has a molecular weight of 124.04 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-difluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 66606971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).