4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine

C12H11F6NO — CID 102589067

IUPAC4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine
SMILESCc1ccc(C2N(C)OC(F)(F)C2(F)C(F)(F)F)cc1
InChIInChI=1S/C12H11F6NO/c1-7-3-5-8(6-4-7)9-10(13,11(14,15)16)12(17,18)20-19(9)2/h3-6,9H,1-2H3
InChIKeyNMZHHRYYUGULHD-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.78
Rot. Bonds1

About 4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine

4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine (PubChem CID 102589067) has the molecular formula C12H11F6NO and a molecular weight of 299.21 g/mol. Its IUPAC name is 4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine
PubChem CID102589067
Molecular FormulaC12H11F6NO
Molecular Weight299.21 g/mol
Exact Mass299.07
IUPAC Name4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine
SMILESCc1ccc(C2N(C)OC(F)(F)C2(F)C(F)(F)F)cc1
InChIInChI=1S/C12H11F6NO/c1-7-3-5-8(6-4-7)9-10(13,11(14,15)16)12(17,18)20-19(9)2/h3-6,9H,1-2H3
InChIKeyNMZHHRYYUGULHD-UHFFFAOYSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 44386545
(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
(3r,5s)-5-Iodomethyl-2-methyl-3-phenyl-isoxazolidine
CID 11141200
(3R,5R)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 5323941
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
5-Methyl-6-phenyl-4-oxa-5-azaspiro[2.4]heptane
CID 13585889
2-(1,1,2,2,3,3,3-Heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol
CID 54218345
3-Phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol
CID 54279259

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine?
The IUPAC name of 4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine (CID 102589067) is 4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine.
What is the SMILES notation for 4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine?
The canonical SMILES for 4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine is Cc1ccc(C2N(C)OC(F)(F)C2(F)C(F)(F)F)cc1.
What is the InChIKey of 4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine?
The InChIKey is NMZHHRYYUGULHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6NO/c1-7-3-5-8(6-4-7)9-10(13,11(14,15)16)12(17,18)20-19(9)2/h3-6,9H,1-2H3.
What are the key properties of 4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine?
4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine has a molecular weight of 299.21 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine is sourced from PubChem (CID 102589067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).