(4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine

C12H13F4NO — CID 145228408

IUPAC(4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine
SMILESC[C@@H]1CN(CC(F)F)O[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F4NO/c1-7-5-17(6-11(15)16)18-12(7)8-2-3-9(13)10(14)4-8/h2-4,7,11-12H,5-6H2,1H3/t7-,12-/m1/s1
InChIKeyOBNLFOFGCNXMCN-JMCQJSRRSA-N
MW263.23 g/mol
LogP3.15
Rot. Bonds3

About (4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine

(4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine (PubChem CID 145228408) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is (4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine.

Molecular Properties

Compound Name(4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine
PubChem CID145228408
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name(4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine
SMILESC[C@@H]1CN(CC(F)F)O[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F4NO/c1-7-5-17(6-11(15)16)18-12(7)8-2-3-9(13)10(14)4-8/h2-4,7,11-12H,5-6H2,1H3/t7-,12-/m1/s1
InChIKeyOBNLFOFGCNXMCN-JMCQJSRRSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine with MolForge

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Related Compounds

4-(Iodomethyl)-3-methyl-1-phenylmethoxy-3-(3,3,3-trifluoropropyl)pyrrolidine
CID 164686761
(1R,2R)-2-methyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylbutan-1-ol
CID 11776842
2-Methyl-5-phenylisoxazolidine
CID 11051981
(1S,2S)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 9860705
2-Methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 14459013
(1R,2R)-2-Methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 14459015
(3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine
CID 59062237
(3R,5S)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine
CID 59062362
1-[(4-Fluorophenyl)methoxy]pyrrolidine
CID 68869609
3-[(3,5-Difluorophenyl)-methoxymethyl]pyrrolidine
CID 91570179
(4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
CID 134567704
(5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine
CID 134567718

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine?
The IUPAC name of (4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine (CID 145228408) is (4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine.
What is the SMILES notation for (4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine?
The canonical SMILES for (4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine is C[C@@H]1CN(CC(F)F)O[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine?
The InChIKey is OBNLFOFGCNXMCN-JMCQJSRRSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-7-5-17(6-11(15)16)18-12(7)8-2-3-9(13)10(14)4-8/h2-4,7,11-12H,5-6H2,1H3/t7-,12-/m1/s1.
What are the key properties of (4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine?
(4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine has a molecular weight of 263.23 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine is sourced from PubChem (CID 145228408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).