(3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine

C11H10F5NO — CID 90303154

IUPAC(3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine
SMILESC[C@@]1(c2c(F)cccc2F)C[C@@H](C(F)(F)F)ON1
InChIInChI=1S/C11H10F5NO/c1-10(5-8(18-17-10)11(14,15)16)9-6(12)3-2-4-7(9)13/h2-4,8,17H,5H2,1H3/t8-,10-/m0/s1
InChIKeyTWRZSYOEPXYEEZ-WPRPVWTQSA-N
MW267.20 g/mol
LogP3.04
Rot. Bonds1

About (3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine

(3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine (PubChem CID 90303154) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is (3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine
PubChem CID90303154
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name(3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine
SMILESC[C@@]1(c2c(F)cccc2F)C[C@@H](C(F)(F)F)ON1
InChIInChI=1S/C11H10F5NO/c1-10(5-8(18-17-10)11(14,15)16)9-6(12)3-2-4-7(9)13/h2-4,8,17H,5H2,1H3/t8-,10-/m0/s1
InChIKeyTWRZSYOEPXYEEZ-WPRPVWTQSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine?
The IUPAC name of (3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine (CID 90303154) is (3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine.
What is the SMILES notation for (3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine?
The canonical SMILES for (3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine is C[C@@]1(c2c(F)cccc2F)C[C@@H](C(F)(F)F)ON1.
What is the InChIKey of (3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine?
The InChIKey is TWRZSYOEPXYEEZ-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H10F5NO/c1-10(5-8(18-17-10)11(14,15)16)9-6(12)3-2-4-7(9)13/h2-4,8,17H,5H2,1H3/t8-,10-/m0/s1.
What are the key properties of (3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine?
(3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine has a molecular weight of 267.20 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-(2,6-difluorophenyl)-3-methyl-5-(trifluoromethyl)-1,2-oxazolidine is sourced from PubChem (CID 90303154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).