(2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane

C11H11BrF2O2 — CID 58572556

IUPAC(2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane
SMILESCC(OC[C@H]1CO1)c1c(Br)ccc(F)c1F
InChIInChI=1S/C11H11BrF2O2/c1-6(15-4-7-5-16-7)10-8(12)2-3-9(13)11(10)14/h2-3,6-7H,4-5H2,1H3/t6?,7-/m0/s1
InChIKeyDBNPFLFELLYUMX-MLWJPKLSSA-N
MW293.11 g/mol
LogP3.20
Rot. Bonds4

About (2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane

(2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane (PubChem CID 58572556) has the molecular formula C11H11BrF2O2 and a molecular weight of 293.11 g/mol. Its IUPAC name is (2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane
PubChem CID58572556
Molecular FormulaC11H11BrF2O2
Molecular Weight293.11 g/mol
Exact Mass291.99
IUPAC Name(2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane
SMILESCC(OC[C@H]1CO1)c1c(Br)ccc(F)c1F
InChIInChI=1S/C11H11BrF2O2/c1-6(15-4-7-5-16-7)10-8(12)2-3-9(13)11(10)14/h2-3,6-7H,4-5H2,1H3/t6?,7-/m0/s1
InChIKeyDBNPFLFELLYUMX-MLWJPKLSSA-N
XLogP3.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[(1R)-1-(2-bromo-3-fluoro-4-methylphenyl)ethoxy]methyl]oxirane
CID 58572447
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane
CID 2507807
(2S)-2-[[(1R)-1-(4-methylphenyl)ethoxy]methyl]oxirane
CID 97180239
(2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane
CID 58572701
(2R)-2-[[(1R)-1-[2-bromo-3-(difluoromethoxy)phenyl]ethoxy]methyl]oxirane
CID 58572534
(2S)-2-[[(1R)-1-(4-tert-butylphenyl)ethoxy]methyl]oxirane
CID 97180279
1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine
CID 165477245
(2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane
CID 58662610
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane
CID 97180205
(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane
CID 97180222
2-(1-bromoethoxymethyl)oxirane
CID 20568723
2-(propan-2-yloxymethyl)oxirane
CID 159998967

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane?
The IUPAC name of (2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane (CID 58572556) is (2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane.
What is the SMILES notation for (2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane?
The canonical SMILES for (2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane is CC(OC[C@H]1CO1)c1c(Br)ccc(F)c1F.
What is the InChIKey of (2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane?
The InChIKey is DBNPFLFELLYUMX-MLWJPKLSSA-N. The full InChI is InChI=1S/C11H11BrF2O2/c1-6(15-4-7-5-16-7)10-8(12)2-3-9(13)11(10)14/h2-3,6-7H,4-5H2,1H3/t6?,7-/m0/s1.
What are the key properties of (2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane?
(2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane has a molecular weight of 293.11 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane is sourced from PubChem (CID 58572556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).