3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine

C12H12F5NO2 — CID 142725927

IUPAC3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine
SMILESCOC1CC(c2cc(F)cc(F)c2)N(CC(F)(F)F)O1
InChIInChI=1S/C12H12F5NO2/c1-19-11-5-10(18(20-11)6-12(15,16)17)7-2-8(13)4-9(14)3-7/h2-4,10-11H,5-6H2,1H3
InChIKeyAZVJHBHZAOPJRJ-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.18
Rot. Bonds3

About 3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine

3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine (PubChem CID 142725927) has the molecular formula C12H12F5NO2 and a molecular weight of 297.22 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine
PubChem CID142725927
Molecular FormulaC12H12F5NO2
Molecular Weight297.22 g/mol
Exact Mass297.08
IUPAC Name3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine
SMILESCOC1CC(c2cc(F)cc(F)c2)N(CC(F)(F)F)O1
InChIInChI=1S/C12H12F5NO2/c1-19-11-5-10(18(20-11)6-12(15,16)17)7-2-8(13)4-9(14)3-7/h2-4,10-11H,5-6H2,1H3
InChIKeyAZVJHBHZAOPJRJ-UHFFFAOYSA-N
XLogP3.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 15151212
4-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 13582988
(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine
CID 15151214
(3S,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 101639521
5-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 134922281
(3S,5S)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504493
(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504494
(3S,5S)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914315
(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914316
carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 134899175
carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 134899183
4,5,5-Trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine
CID 102589067

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine?
The IUPAC name of 3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine (CID 142725927) is 3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine?
The canonical SMILES for 3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine is COC1CC(c2cc(F)cc(F)c2)N(CC(F)(F)F)O1.
What is the InChIKey of 3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine?
The InChIKey is AZVJHBHZAOPJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5NO2/c1-19-11-5-10(18(20-11)6-12(15,16)17)7-2-8(13)4-9(14)3-7/h2-4,10-11H,5-6H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine?
3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine has a molecular weight of 297.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine is sourced from PubChem (CID 142725927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).