(2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane

C12H14FIO — CID 125455276

IUPAC(2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane
SMILESFc1ccccc1[C@H]1CC[C@@H](CI)OC1
InChIInChI=1S/C12H14FIO/c13-12-4-2-1-3-11(12)9-5-6-10(7-14)15-8-9/h1-4,9-10H,5-8H2/t9-,10-/m0/s1
InChIKeyDAXPBADPBLHCDJ-UWVGGRQHSA-N
MW320.14 g/mol
LogP3.52
Rot. Bonds2

About (2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane

(2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane (PubChem CID 125455276) has the molecular formula C12H14FIO and a molecular weight of 320.14 g/mol. Its IUPAC name is (2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane.

Molecular Properties

Compound Name(2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane
PubChem CID125455276
Molecular FormulaC12H14FIO
Molecular Weight320.14 g/mol
Exact Mass320.01
IUPAC Name(2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane
SMILESFc1ccccc1[C@H]1CC[C@@H](CI)OC1
InChIInChI=1S/C12H14FIO/c13-12-4-2-1-3-11(12)9-5-6-10(7-14)15-8-9/h1-4,9-10H,5-8H2/t9-,10-/m0/s1
InChIKeyDAXPBADPBLHCDJ-UWVGGRQHSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)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

(2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane
CID 125456369
1-cyclopentyl-2-fluorobenzene
CID 53415938
1-[4-(bromomethyl)cyclohexyl]-2-fluorobenzene
CID 177244846
[3-(2-fluorophenyl)cyclopentyl]methanamine
CID 82281650
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
CID 91409982
5-(2-fluoro-4-methoxyphenyl)-2-propyloxane
CID 144733899
4-(2-fluorophenyl)piperidine-1-carbaldehyde
CID 87956080
1-(2-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 151716486
5-(2,3-difluoro-4-methylphenyl)-2-[2-(4-methylcyclohexyl)ethyl]oxane
CID 21337869
(3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane
CID 130312866
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068
3-(2-fluorophenyl)cyclobutan-1-one
CID 53403957

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane?
The IUPAC name of (2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane (CID 125455276) is (2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane.
What is the SMILES notation for (2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane?
The canonical SMILES for (2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane is Fc1ccccc1[C@H]1CC[C@@H](CI)OC1.
What is the InChIKey of (2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane?
The InChIKey is DAXPBADPBLHCDJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H14FIO/c13-12-4-2-1-3-11(12)9-5-6-10(7-14)15-8-9/h1-4,9-10H,5-8H2/t9-,10-/m0/s1.
What are the key properties of (2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane?
(2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane has a molecular weight of 320.14 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane is sourced from PubChem (CID 125455276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).