(5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine

C7H12F3NO — CID 134438052

IUPAC(5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine
SMILESCN1C[C@@H](C(F)(F)F)OC1(C)C
InChIInChI=1S/C7H12F3NO/c1-6(2)11(3)4-5(12-6)7(8,9)10/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyNGYFJPRUWOGRFW-YFKPBYRVSA-N
MW183.17 g/mol
LogP1.62
Rot. Bonds

About (5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine

(5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 134438052) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine
PubChem CID134438052
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine
SMILESCN1C[C@@H](C(F)(F)F)OC1(C)C
InChIInChI=1S/C7H12F3NO/c1-6(2)11(3)4-5(12-6)7(8,9)10/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyNGYFJPRUWOGRFW-YFKPBYRVSA-N
XLogP1.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazolidine, 2,2,3-trimethyl-
CID 254199
1-Methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 18722933
1-Methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 18722936
3,3-Difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140093
3,3-Difluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222106
(3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine
CID 118551806
(3S)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine
CID 118553669
(3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine
CID 118910993
1-Methyl-3-(trifluoromethoxy)pyrrolidine
CID 123333076
(3R)-3-(difluoromethoxy)-1-ethylpyrrolidine
CID 127017414
3-(Difluoromethoxy)-1-ethylpyrrolidine
CID 130225792
3-(Difluoromethoxy)-1-propan-2-ylpyrrolidine
CID 130637346

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of (5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine (CID 134438052) is (5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for (5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for (5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine is CN1C[C@@H](C(F)(F)F)OC1(C)C.
What is the InChIKey of (5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is NGYFJPRUWOGRFW-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(2)11(3)4-5(12-6)7(8,9)10/h5H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine?
(5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 183.17 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2,3-trimethyl-5-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 134438052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).