(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol

C5H8F2O4 — CID 14057748

IUPAC(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
SMILESOC[C@H]1OC(O)C(F)(F)[C@@H]1O
InChIInChI=1S/C5H8F2O4/c6-5(7)3(9)2(1-8)11-4(5)10/h2-4,8-10H,1H2/t2-,3-,4?/m1/s1
InChIKeyLDHXMQXUOUZOLF-HERZVMAMSA-N
MW170.11 g/mol
LogP-1.31
Rot. Bonds1

About (4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol

(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol (PubChem CID 14057748) has the molecular formula C5H8F2O4 and a molecular weight of 170.11 g/mol. Its IUPAC name is (4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol.

Molecular Properties

Compound Name(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
PubChem CID14057748
Molecular FormulaC5H8F2O4
Molecular Weight170.11 g/mol
Exact Mass170.04
IUPAC Name(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
SMILESOC[C@H]1OC(O)C(F)(F)[C@@H]1O
InChIInChI=1S/C5H8F2O4/c6-5(7)3(9)2(1-8)11-4(5)10/h2-4,8-10H,1H2/t2-,3-,4?/m1/s1
InChIKeyLDHXMQXUOUZOLF-HERZVMAMSA-N
XLogP-1.31
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol?
The IUPAC name of (4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol (CID 14057748) is (4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol.
What is the SMILES notation for (4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol?
The canonical SMILES for (4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol is OC[C@H]1OC(O)C(F)(F)[C@@H]1O.
What is the InChIKey of (4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol?
The InChIKey is LDHXMQXUOUZOLF-HERZVMAMSA-N. The full InChI is InChI=1S/C5H8F2O4/c6-5(7)3(9)2(1-8)11-4(5)10/h2-4,8-10H,1H2/t2-,3-,4?/m1/s1.
What are the key properties of (4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol?
(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol has a molecular weight of 170.11 g/mol, XLogP of -1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol is sourced from PubChem (CID 14057748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).