3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol

C12H15BrFNO2 — CID 114143452

IUPAC3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2cccc(F)c2Br)CCOC1
InChIInChI=1S/C12H15BrFNO2/c13-11-9(2-1-3-10(11)14)6-15-7-12(16)4-5-17-8-12/h1-3,15-16H,4-8H2
InChIKeyZBWKGSYUNVHRBB-UHFFFAOYSA-N
MW304.16 g/mol
LogP1.83
Rot. Bonds4

About 3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol

3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol (PubChem CID 114143452) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
PubChem CID114143452
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2cccc(F)c2Br)CCOC1
InChIInChI=1S/C12H15BrFNO2/c13-11-9(2-1-3-10(11)14)6-15-7-12(16)4-5-17-8-12/h1-3,15-16H,4-8H2
InChIKeyZBWKGSYUNVHRBB-UHFFFAOYSA-N
XLogP1.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-fluoro-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 112607096
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848486
4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 112652187
3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848379
4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
4-[[(3-bromo-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929034
3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 113337855
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
CID 103923800
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol (CID 114143452) is 3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol is OC1(CNCc2cccc(F)c2Br)CCOC1.
What is the InChIKey of 3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is ZBWKGSYUNVHRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c13-11-9(2-1-3-10(11)14)6-15-7-12(16)4-5-17-8-12/h1-3,15-16H,4-8H2.
What are the key properties of 3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol?
3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 304.16 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 114143452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).