(3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol

C10H9BrF2O3 — CID 170792421

IUPAC(3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol
SMILESO[C@@H]1COCC1Oc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H9BrF2O3/c11-5-1-6(12)10(7(13)2-5)16-9-4-15-3-8(9)14/h1-2,8-9,14H,3-4H2/t8-,9?/m1/s1
InChIKeyKDIISAPFWYULSN-VEDVMXKPSA-N
MW295.08 g/mol
LogP1.87
Rot. Bonds2

About (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol

(3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol (PubChem CID 170792421) has the molecular formula C10H9BrF2O3 and a molecular weight of 295.08 g/mol. Its IUPAC name is (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol.

Molecular Properties

Compound Name(3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol
PubChem CID170792421
Molecular FormulaC10H9BrF2O3
Molecular Weight295.08 g/mol
Exact Mass293.97
IUPAC Name(3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol
SMILESO[C@@H]1COCC1Oc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H9BrF2O3/c11-5-1-6(12)10(7(13)2-5)16-9-4-15-3-8(9)14/h1-2,8-9,14H,3-4H2/t8-,9?/m1/s1
InChIKeyKDIISAPFWYULSN-VEDVMXKPSA-N
XLogP1.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol?
The IUPAC name of (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol (CID 170792421) is (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol.
What is the SMILES notation for (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol?
The canonical SMILES for (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol is O[C@@H]1COCC1Oc1c(F)cc(Br)cc1F.
What is the InChIKey of (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol?
The InChIKey is KDIISAPFWYULSN-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H9BrF2O3/c11-5-1-6(12)10(7(13)2-5)16-9-4-15-3-8(9)14/h1-2,8-9,14H,3-4H2/t8-,9?/m1/s1.
What are the key properties of (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol?
(3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol has a molecular weight of 295.08 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol is sourced from PubChem (CID 170792421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).