(2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane

C20H20F2O4 — CID 102315051

IUPAC(2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane
SMILESF[C@@H]1CCO[C@]1(OO[C@@]1(c2ccccc2)OCC[C@@H]1F)c1ccccc1
InChIInChI=1S/C20H20F2O4/c21-17-11-13-23-19(17,15-7-3-1-4-8-15)25-26-20(18(22)12-14-24-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+,19+,20-
InChIKeyMDNPGWPWBCONQT-JVSBHGNQSA-N
MW362.37 g/mol
LogP4.16
Rot. Bonds5

About (2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane

(2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane (PubChem CID 102315051) has the molecular formula C20H20F2O4 and a molecular weight of 362.37 g/mol. Its IUPAC name is (2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane.

Molecular Properties

Compound Name(2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane
PubChem CID102315051
Molecular FormulaC20H20F2O4
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name(2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane
SMILESF[C@@H]1CCO[C@]1(OO[C@@]1(c2ccccc2)OCC[C@@H]1F)c1ccccc1
InChIInChI=1S/C20H20F2O4/c21-17-11-13-23-19(17,15-7-3-1-4-8-15)25-26-20(18(22)12-14-24-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+,19+,20-
InChIKeyMDNPGWPWBCONQT-JVSBHGNQSA-N
XLogP4.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2,3-diphenyl-2-(trifluoromethyl)oxolane
CID 123227157
(3R)-2,2-diphenyloxolan-3-ol
CID 125490634
(2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane
CID 53242306
3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile
CID 142798963
cis-(1R,2S)-2-fluoro-1-phenylcyclopropan-1-amine
CID 11457782
(2,2-diphenyloxolan-3-yl)methyl-dimethylazanium
CID 171736715
1-phenyl-2-oxabicyclo[4.1.0]heptane
CID 154332997
1-(2,2-diphenyloxolan-3-yl)ethanamine
CID 126485677
[(1R)-2-fluoro-1-phenylcyclopropyl]methanamine
CID 126843009
1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane
CID 102368152
4-fluoro-1-phenylcyclohexan-1-amine
CID 83853906
2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 12934420

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane?
The IUPAC name of (2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane (CID 102315051) is (2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane.
What is the SMILES notation for (2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane?
The canonical SMILES for (2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane is F[C@@H]1CCO[C@]1(OO[C@@]1(c2ccccc2)OCC[C@@H]1F)c1ccccc1.
What is the InChIKey of (2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane?
The InChIKey is MDNPGWPWBCONQT-JVSBHGNQSA-N. The full InChI is InChI=1S/C20H20F2O4/c21-17-11-13-23-19(17,15-7-3-1-4-8-15)25-26-20(18(22)12-14-24-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+,19+,20-.
What are the key properties of (2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane?
(2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane has a molecular weight of 362.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane is sourced from PubChem (CID 102315051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).