(3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane

C10H9BrF2O2 — CID 121407954

IUPAC(3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane
SMILESFc1cc(Br)cc(F)c1O[C@H]1CCOC1
InChIInChI=1S/C10H9BrF2O2/c11-6-3-8(12)10(9(13)4-6)15-7-1-2-14-5-7/h3-4,7H,1-2,5H2/t7-/m0/s1
InChIKeyAGMLBWADWXRWFV-ZETCQYMHSA-N
MW279.08 g/mol
LogP2.89
Rot. Bonds2

About (3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane

(3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane (PubChem CID 121407954) has the molecular formula C10H9BrF2O2 and a molecular weight of 279.08 g/mol. Its IUPAC name is (3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane.

Molecular Properties

Compound Name(3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane
PubChem CID121407954
Molecular FormulaC10H9BrF2O2
Molecular Weight279.08 g/mol
Exact Mass277.98
IUPAC Name(3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane
SMILESFc1cc(Br)cc(F)c1O[C@H]1CCOC1
InChIInChI=1S/C10H9BrF2O2/c11-6-3-8(12)10(9(13)4-6)15-7-1-2-14-5-7/h3-4,7H,1-2,5H2/t7-/m0/s1
InChIKeyAGMLBWADWXRWFV-ZETCQYMHSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-fluorophenoxy)oxolane
CID 114672573
3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 81293659
1-[5-bromo-3-methyl-2-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
CID 112620014
(3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol
CID 170792421
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
3-fluoro-5-(methylaminomethyl)-4-[(3R)-oxolan-3-yl]oxyaniline
CID 131733883
3-fluoro-5-(methylaminomethyl)-4-[(3S)-oxolan-3-yl]oxyaniline
CID 131733886
N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 107134472
3,5-difluoro-2-(oxan-3-yloxy)aniline
CID 166931502
(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553
3-[4-(bromomethyl)-2,6-dimethylphenoxy]oxolane
CID 63557572
6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline
CID 135197733

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane?
The IUPAC name of (3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane (CID 121407954) is (3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane.
What is the SMILES notation for (3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane?
The canonical SMILES for (3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane is Fc1cc(Br)cc(F)c1O[C@H]1CCOC1.
What is the InChIKey of (3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane?
The InChIKey is AGMLBWADWXRWFV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9BrF2O2/c11-6-3-8(12)10(9(13)4-6)15-7-1-2-14-5-7/h3-4,7H,1-2,5H2/t7-/m0/s1.
What are the key properties of (3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane?
(3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane has a molecular weight of 279.08 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane is sourced from PubChem (CID 121407954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).