(3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol

C8H14F2O2 — CID 174243070

IUPAC(3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol
SMILESCC(C)(C)[C@@H]1COC(F)(F)[C@@H]1O
InChIInChI=1S/C8H14F2O2/c1-7(2,3)5-4-12-8(9,10)6(5)11/h5-6,11H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyPKKJOSUTDOAITO-PHDIDXHHSA-N
MW180.19 g/mol
LogP1.63
Rot. Bonds

About (3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol

(3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol (PubChem CID 174243070) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is (3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol
PubChem CID174243070
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name(3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol
SMILESCC(C)(C)[C@@H]1COC(F)(F)[C@@H]1O
InChIInChI=1S/C8H14F2O2/c1-7(2,3)5-4-12-8(9,10)6(5)11/h5-6,11H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyPKKJOSUTDOAITO-PHDIDXHHSA-N
XLogP1.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol?
The IUPAC name of (3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol (CID 174243070) is (3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol.
What is the SMILES notation for (3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol?
The canonical SMILES for (3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol is CC(C)(C)[C@@H]1COC(F)(F)[C@@H]1O.
What is the InChIKey of (3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol?
The InChIKey is PKKJOSUTDOAITO-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-7(2,3)5-4-12-8(9,10)6(5)11/h5-6,11H,4H2,1-3H3/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol?
(3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol has a molecular weight of 180.19 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol is sourced from PubChem (CID 174243070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).