(4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine

C11H10F5NO — CID 102358799

IUPAC(4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
SMILESCN1C[C@](F)(c2ccccc2)[C@@](F)(C(F)(F)F)O1
InChIInChI=1S/C11H10F5NO/c1-17-7-9(12,8-5-3-2-4-6-8)10(13,18-17)11(14,15)16/h2-6H,7H2,1H3/t9-,10-/m0/s1
InChIKeyNXHLJWCDYMYCIH-UWVGGRQHSA-N
MW267.20 g/mol
LogP2.96
Rot. Bonds1

About (4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine

(4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine (PubChem CID 102358799) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is (4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
PubChem CID102358799
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name(4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
SMILESCN1C[C@](F)(c2ccccc2)[C@@](F)(C(F)(F)F)O1
InChIInChI=1S/C11H10F5NO/c1-17-7-9(12,8-5-3-2-4-6-8)10(13,18-17)11(14,15)16/h2-6H,7H2,1H3/t9-,10-/m0/s1
InChIKeyNXHLJWCDYMYCIH-UWVGGRQHSA-N
XLogP2.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 15151212
(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
4,5,5-Trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine
CID 102589067
(5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine
CID 145228395
(4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine
CID 145228408
(4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine
CID 145228956
(3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine
CID 14379890
(3S,5R)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine
CID 21811755
(3R,4S)-4,5,5-trifluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine
CID 25018950

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine?
The IUPAC name of (4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine (CID 102358799) is (4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine.
What is the SMILES notation for (4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine?
The canonical SMILES for (4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine is CN1C[C@](F)(c2ccccc2)[C@@](F)(C(F)(F)F)O1.
What is the InChIKey of (4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine?
The InChIKey is NXHLJWCDYMYCIH-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H10F5NO/c1-17-7-9(12,8-5-3-2-4-6-8)10(13,18-17)11(14,15)16/h2-6H,7H2,1H3/t9-,10-/m0/s1.
What are the key properties of (4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine?
(4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine has a molecular weight of 267.20 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine is sourced from PubChem (CID 102358799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).