(2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane

C19H19F2IO2 — CID 15238256

IUPAC(2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane
SMILESFc1ccc([C@@]2(CI)C[C@H](COCc3ccccc3)CO2)c(F)c1
InChIInChI=1S/C19H19F2IO2/c20-16-6-7-17(18(21)8-16)19(13-22)9-15(12-24-19)11-23-10-14-4-2-1-3-5-14/h1-8,15H,9-13H2/t15-,19+/m1/s1
InChIKeyMENSEIKEUWJAGJ-BEFAXECRSA-N
MW444.26 g/mol
LogP4.85
Rot. Bonds6

About (2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane

(2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane (PubChem CID 15238256) has the molecular formula C19H19F2IO2 and a molecular weight of 444.26 g/mol. Its IUPAC name is (2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane
PubChem CID15238256
Molecular FormulaC19H19F2IO2
Molecular Weight444.26 g/mol
Exact Mass444.04
IUPAC Name(2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane
SMILESFc1ccc([C@@]2(CI)C[C@H](COCc3ccccc3)CO2)c(F)c1
InChIInChI=1S/C19H19F2IO2/c20-16-6-7-17(18(21)8-16)19(13-22)9-15(12-24-19)11-23-10-14-4-2-1-3-5-14/h1-8,15H,9-13H2/t15-,19+/m1/s1
InChIKeyMENSEIKEUWJAGJ-BEFAXECRSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.26
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane 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

2,2-Diphenyltetrahydrofuran
CID 70175
2,3-Bis-(4-fluorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 42609841
Furan, 2,5-diphenyl-tetrahydro-
CID 576417
3-[Bis-(4-fluoro-phenyl)-methoxy]-8-oxa-bicyclo[3.2.1]octane
CID 76313446
(2S,3R,4S,5R)-3,4-dimethyl-2,5-bis(4-methylphenyl)oxolane
CID 145958819
2,2-Bis(4-fluorophenyl)tetrahydrofuran
CID 96739
Calyxolane A
CID 10609194
Calyxolane B
CID 10775525
2-(4-Fluorophenyl)-2-methyloxolane
CID 132520503
2-(4-Fluorophenyl)tetrahydro-2-phenylfuran
CID 3019788
(2R,4R)-2,4-diphenyloxolane
CID 101692971
(2R,4S)-2,4-diphenyloxolane
CID 101692972

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane?
The IUPAC name of (2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane (CID 15238256) is (2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for (2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane?
The canonical SMILES for (2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane is Fc1ccc([C@@]2(CI)C[C@H](COCc3ccccc3)CO2)c(F)c1.
What is the InChIKey of (2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane?
The InChIKey is MENSEIKEUWJAGJ-BEFAXECRSA-N. The full InChI is InChI=1S/C19H19F2IO2/c20-16-6-7-17(18(21)8-16)19(13-22)9-15(12-24-19)11-23-10-14-4-2-1-3-5-14/h1-8,15H,9-13H2/t15-,19+/m1/s1.
What are the key properties of (2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane?
(2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane has a molecular weight of 444.26 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(2,4-difluorophenyl)-2-(iodomethyl)-4-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 15238256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).