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

C12H12F5NO — CID 102589068

IUPAC5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine
SMILESCc1ccc(C2C(C(F)(F)F)C(F)(F)ON2C)cc1
InChIInChI=1S/C12H12F5NO/c1-7-3-5-8(6-4-7)9-10(11(13,14)15)12(16,17)19-18(9)2/h3-6,9-10H,1-2H3
InChIKeyJEIFSQHBSALPBF-UHFFFAOYSA-N
MW281.22 g/mol
LogP3.68
Rot. Bonds1

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

5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine (PubChem CID 102589068) has the molecular formula C12H12F5NO and a molecular weight of 281.22 g/mol. Its IUPAC name is 5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine
PubChem CID102589068
Molecular FormulaC12H12F5NO
Molecular Weight281.22 g/mol
Exact Mass281.08
IUPAC Name5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine
SMILESCc1ccc(C2C(C(F)(F)F)C(F)(F)ON2C)cc1
InChIInChI=1S/C12H12F5NO/c1-7-3-5-8(6-4-7)9-10(11(13,14)15)12(16,17)19-18(9)2/h3-6,9-10H,1-2H3
InChIKeyJEIFSQHBSALPBF-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine with MolForge

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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
2,2-Difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine
CID 162399988
(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
4,5,5-Trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine
CID 102589067
3-(2-Fluorophenyl)-2-methyl-1,2-oxazolidine
CID 129018500
(2R)-3,3,3-trifluoro-1-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]-2-methylpropan-1-one
CID 129188696
3,3,3-trifluoro-1-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]-2-methylpropan-1-one
CID 129188698

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine?
The IUPAC name of 5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine (CID 102589068) is 5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine.
What is the SMILES notation for 5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine?
The canonical SMILES for 5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine is Cc1ccc(C2C(C(F)(F)F)C(F)(F)ON2C)cc1.
What is the InChIKey of 5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine?
The InChIKey is JEIFSQHBSALPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5NO/c1-7-3-5-8(6-4-7)9-10(11(13,14)15)12(16,17)19-18(9)2/h3-6,9-10H,1-2H3.
What are the key properties of 5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine?
5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine has a molecular weight of 281.22 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine is sourced from PubChem (CID 102589068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).