(3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine

C11H11F4NO — CID 71663144

IUPAC(3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine
SMILESC[C@@]1(c2ccccc2F)C[C@@H](C(F)(F)F)ON1
InChIInChI=1S/C11H11F4NO/c1-10(7-4-2-3-5-8(7)12)6-9(17-16-10)11(13,14)15/h2-5,9,16H,6H2,1H3/t9-,10-/m0/s1
InChIKeyGBOJLAMYZDPKAK-UWVGGRQHSA-N
MW249.21 g/mol
LogP2.90
Rot. Bonds1

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

(3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine (PubChem CID 71663144) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is (3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine
PubChem CID71663144
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name(3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine
SMILESC[C@@]1(c2ccccc2F)C[C@@H](C(F)(F)F)ON1
InChIInChI=1S/C11H11F4NO/c1-10(7-4-2-3-5-8(7)12)6-9(17-16-10)11(13,14)15/h2-5,9,16H,6H2,1H3/t9-,10-/m0/s1
InChIKeyGBOJLAMYZDPKAK-UWVGGRQHSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine?
The IUPAC name of (3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine (CID 71663144) is (3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine.
What is the SMILES notation for (3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine?
The canonical SMILES for (3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine is C[C@@]1(c2ccccc2F)C[C@@H](C(F)(F)F)ON1.
What is the InChIKey of (3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine?
The InChIKey is GBOJLAMYZDPKAK-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H11F4NO/c1-10(7-4-2-3-5-8(7)12)6-9(17-16-10)11(13,14)15/h2-5,9,16H,6H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine?
(3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine has a molecular weight of 249.21 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-(2-fluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine is sourced from PubChem (CID 71663144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).