(4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one

C5H6F2O4 — CID 66884134

IUPAC(4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one
SMILESO=C1OC[C@@H](O)[C@@H](O)C1(F)F
InChIInChI=1S/C5H6F2O4/c6-5(7)3(9)2(8)1-11-4(5)10/h2-3,8-9H,1H2/t2-,3-/m1/s1
InChIKeyGTNQDPPKSOCDOG-PWNYCUMCSA-N
MW168.09 g/mol
LogP-1.10
Rot. Bonds

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

(4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one (PubChem CID 66884134) has the molecular formula C5H6F2O4 and a molecular weight of 168.09 g/mol. Its IUPAC name is (4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one
PubChem CID66884134
Molecular FormulaC5H6F2O4
Molecular Weight168.09 g/mol
Exact Mass168.02
IUPAC Name(4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one
SMILESO=C1OC[C@@H](O)[C@@H](O)C1(F)F
InChIInChI=1S/C5H6F2O4/c6-5(7)3(9)2(8)1-11-4(5)10/h2-3,8-9H,1H2/t2-,3-/m1/s1
InChIKeyGTNQDPPKSOCDOG-PWNYCUMCSA-N
XLogP-1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.09
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one?
The IUPAC name of (4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one (CID 66884134) is (4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one.
What is the SMILES notation for (4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one?
The canonical SMILES for (4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one is O=C1OC[C@@H](O)[C@@H](O)C1(F)F.
What is the InChIKey of (4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one?
The InChIKey is GTNQDPPKSOCDOG-PWNYCUMCSA-N. The full InChI is InChI=1S/C5H6F2O4/c6-5(7)3(9)2(8)1-11-4(5)10/h2-3,8-9H,1H2/t2-,3-/m1/s1.
What are the key properties of (4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one?
(4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one has a molecular weight of 168.09 g/mol, XLogP of -1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one is sourced from PubChem (CID 66884134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).