2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol

C13H15BrF2O2 — CID 106265571

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol
SMILESCC1CCC(C(O)Cc2c(F)ccc(Br)c2F)O1
InChIInChI=1S/C13H15BrF2O2/c1-7-2-5-12(18-7)11(17)6-8-10(15)4-3-9(14)13(8)16/h3-4,7,11-12,17H,2,5-6H2,1H3
InChIKeyGARKQBDTWZTHBE-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.20
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol

2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol (PubChem CID 106265571) has the molecular formula C13H15BrF2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol
PubChem CID106265571
Molecular FormulaC13H15BrF2O2
Molecular Weight321.16 g/mol
Exact Mass320.02
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol
SMILESCC1CCC(C(O)Cc2c(F)ccc(Br)c2F)O1
InChIInChI=1S/C13H15BrF2O2/c1-7-2-5-12(18-7)11(17)6-8-10(15)4-3-9(14)13(8)16/h3-4,7,11-12,17H,2,5-6H2,1H3
InChIKeyGARKQBDTWZTHBE-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 106274426
2-(4-fluoro-2-methylphenyl)-1-(5-methyloxolan-2-yl)ethanol
CID 114347006
2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 106267698
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
3-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 106266325
2-[bromo-(3-bromo-4-fluorophenyl)methyl]-5-methyloxolane
CID 81326767
2-(3-bromo-2,6-difluorophenyl)-1-(oxolan-2-yl)ethanamine
CID 106267560
[2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105290501
2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115839233
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 106265600
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
CID 106271487

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol (CID 106265571) is 2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol is CC1CCC(C(O)Cc2c(F)ccc(Br)c2F)O1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol?
The InChIKey is GARKQBDTWZTHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2O2/c1-7-2-5-12(18-7)11(17)6-8-10(15)4-3-9(14)13(8)16/h3-4,7,11-12,17H,2,5-6H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol?
2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol has a molecular weight of 321.16 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol is sourced from PubChem (CID 106265571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).