(2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane

C17H15BrF2O — CID 166436706

IUPAC(2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane
SMILESFc1ccccc1[C@@H]1CC(Br)C[C@H](c2ccccc2F)O1
InChIInChI=1S/C17H15BrF2O/c18-11-9-16(12-5-1-3-7-14(12)19)21-17(10-11)13-6-2-4-8-15(13)20/h1-8,11,16-17H,9-10H2/t11?,16-,17+
InChIKeyFWURTHWUCYQHTM-PPOQKSSISA-N
MW353.21 g/mol
LogP5.32
Rot. Bonds2

About (2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane

(2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane (PubChem CID 166436706) has the molecular formula C17H15BrF2O and a molecular weight of 353.21 g/mol. Its IUPAC name is (2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane.

Molecular Properties

Compound Name(2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane
PubChem CID166436706
Molecular FormulaC17H15BrF2O
Molecular Weight353.21 g/mol
Exact Mass352.03
IUPAC Name(2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane
SMILESFc1ccccc1[C@@H]1CC(Br)C[C@H](c2ccccc2F)O1
InChIInChI=1S/C17H15BrF2O/c18-11-9-16(12-5-1-3-7-14(12)19)21-17(10-11)13-6-2-4-8-15(13)20/h1-8,11,16-17H,9-10H2/t11?,16-,17+
InChIKeyFWURTHWUCYQHTM-PPOQKSSISA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.21
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane 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

[4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
CID 82158224
3-(2-fluorophenyl)-3,4-dihydro-1H-isochromene-1-carbaldehyde
CID 175392412
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
CID 91409982
1-cyclopentyl-2-fluorobenzene
CID 53415938
(2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane
CID 125456369
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
2-(2-fluorophenyl)-5-methyl-5-phenylmorpholine
CID 105058733
(1S,2R,6S)-2-(2-fluorophenyl)-3,4,7-trioxabicyclo[4.1.0]heptane
CID 24797239
1-(2-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 151716486
2-(2-fluorophenyl)-4-methylazetidine
CID 116822055
(2S,6R)-4-chloro-2,6-bis(2-methylphenyl)oxane
CID 11033937
6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 58424087

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane?
The IUPAC name of (2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane (CID 166436706) is (2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane.
What is the SMILES notation for (2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane?
The canonical SMILES for (2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane is Fc1ccccc1[C@@H]1CC(Br)C[C@H](c2ccccc2F)O1.
What is the InChIKey of (2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane?
The InChIKey is FWURTHWUCYQHTM-PPOQKSSISA-N. The full InChI is InChI=1S/C17H15BrF2O/c18-11-9-16(12-5-1-3-7-14(12)19)21-17(10-11)13-6-2-4-8-15(13)20/h1-8,11,16-17H,9-10H2/t11?,16-,17+.
What are the key properties of (2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane?
(2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane has a molecular weight of 353.21 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane is sourced from PubChem (CID 166436706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).