methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate

C12H21F2O6P — CID 101082236

IUPACmethyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate
SMILESCCOP(=O)(OCC)C(F)(F)C[C@H]1COC[C@@H]1C(=O)OC
InChIInChI=1S/C12H21F2O6P/c1-4-19-21(16,20-5-2)12(13,14)6-9-7-18-8-10(9)11(15)17-3/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyFKAVODMGJNUPHH-UWVGGRQHSA-N
MW330.26 g/mol
LogP2.67
Rot. Bonds8

About methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate

methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate (PubChem CID 101082236) has the molecular formula C12H21F2O6P and a molecular weight of 330.26 g/mol. Its IUPAC name is methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate
PubChem CID101082236
Molecular FormulaC12H21F2O6P
Molecular Weight330.26 g/mol
Exact Mass330.10
IUPAC Namemethyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate
SMILESCCOP(=O)(OCC)C(F)(F)C[C@H]1COC[C@@H]1C(=O)OC
InChIInChI=1S/C12H21F2O6P/c1-4-19-21(16,20-5-2)12(13,14)6-9-7-18-8-10(9)11(15)17-3/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyFKAVODMGJNUPHH-UWVGGRQHSA-N
XLogP2.67
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-propyloxolane-3-carboxylate
CID 162735076
9-[[(3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolan-3-yl]methyl]-1H-purin-6-one
CID 136806208
4-(2,2,2-trifluoroethyl)oxolane-3-carboxylic acid
CID 84774751
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate
CID 10465636
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate
CID 67078588
methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate
CID 10778546
methyl 3,3-bis(diethoxyphosphoryl)butanoate
CID 10571418
4-amino-N-(2-ethoxy-2-methylpropyl)oxolane-3-carboxamide
CID 114942260
2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane
CID 21197647
[(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol
CID 101002673
2-bromo-4-diethoxyphosphoryl-4,4-difluorobut-1-ene
CID 14268059

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate?
The IUPAC name of methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate (CID 101082236) is methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate.
What is the SMILES notation for methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate?
The canonical SMILES for methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate is CCOP(=O)(OCC)C(F)(F)C[C@H]1COC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate?
The InChIKey is FKAVODMGJNUPHH-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H21F2O6P/c1-4-19-21(16,20-5-2)12(13,14)6-9-7-18-8-10(9)11(15)17-3/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate?
methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate has a molecular weight of 330.26 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate is sourced from PubChem (CID 101082236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).