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

C7H10F2O3 — CID 58100393

IUPAC(4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one
SMILESCC[C@]1(F)OC(=O)O[C@@]1(F)CC
InChIInChI=1S/C7H10F2O3/c1-3-6(8)7(9,4-2)12-5(10)11-6/h3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeySBBBAJDAOMNUCX-BQBZGAKWSA-N
MW180.15 g/mol
LogP2.30
Rot. Bonds2

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

(4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one (PubChem CID 58100393) has the molecular formula C7H10F2O3 and a molecular weight of 180.15 g/mol. Its IUPAC name is (4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one
PubChem CID58100393
Molecular FormulaC7H10F2O3
Molecular Weight180.15 g/mol
Exact Mass180.06
IUPAC Name(4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one
SMILESCC[C@]1(F)OC(=O)O[C@@]1(F)CC
InChIInChI=1S/C7H10F2O3/c1-3-6(8)7(9,4-2)12-5(10)11-6/h3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeySBBBAJDAOMNUCX-BQBZGAKWSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one?
The IUPAC name of (4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one (CID 58100393) is (4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one.
What is the SMILES notation for (4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one?
The canonical SMILES for (4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one is CC[C@]1(F)OC(=O)O[C@@]1(F)CC.
What is the InChIKey of (4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one?
The InChIKey is SBBBAJDAOMNUCX-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H10F2O3/c1-3-6(8)7(9,4-2)12-5(10)11-6/h3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one?
(4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one has a molecular weight of 180.15 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 58100393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).