(2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine

C12H13BrF3NOS — CID 68552680

IUPAC(2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine
SMILESCSC[C@H]1CO[C@](c2ccc(Br)cc2)(C(F)(F)F)N1
InChIInChI=1S/C12H13BrF3NOS/c1-19-7-10-6-18-11(17-10,12(14,15)16)8-2-4-9(13)5-3-8/h2-5,10,17H,6-7H2,1H3/t10-,11-/m1/s1
InChIKeyBRICJFBOVGHJIN-GHMZBOCLSA-N
MW356.21 g/mol
LogP3.52
Rot. Bonds3

About (2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine

(2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 68552680) has the molecular formula C12H13BrF3NOS and a molecular weight of 356.21 g/mol. Its IUPAC name is (2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine
PubChem CID68552680
Molecular FormulaC12H13BrF3NOS
Molecular Weight356.21 g/mol
Exact Mass354.99
IUPAC Name(2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine
SMILESCSC[C@H]1CO[C@](c2ccc(Br)cc2)(C(F)(F)F)N1
InChIInChI=1S/C12H13BrF3NOS/c1-19-7-10-6-18-11(17-10,12(14,15)16)8-2-4-9(13)5-3-8/h2-5,10,17H,6-7H2,1H3/t10-,11-/m1/s1
InChIKeyBRICJFBOVGHJIN-GHMZBOCLSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine
CID 23437097
(2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
CID 59229639
2-(4-Bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
CID 68409541
(2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine
CID 68962761
2-(4-Bromo-3-fluorophenyl)-1,3-oxazolidine
CID 174900477
(4R)-2-(4-bromophenyl)-4-phenyl-1,3-oxazolidine
CID 11781665
2-Phenyl-4-(ethylthiomethyl)oxazolidine
CID 13521820
2-Phenyltetrahydrothieno[3,4-d]oxazoline hydrobromide
CID 129796543
N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 62110748
N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine
CID 66274861
N-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]propan-2-amine
CID 82005526
N-[2-(4-bromophenyl)-2-(4,4,4-trifluorobutoxy)ethyl]propan-2-amine
CID 82783652

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of (2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine (CID 68552680) is (2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for (2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for (2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine is CSC[C@H]1CO[C@](c2ccc(Br)cc2)(C(F)(F)F)N1.
What is the InChIKey of (2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is BRICJFBOVGHJIN-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H13BrF3NOS/c1-19-7-10-6-18-11(17-10,12(14,15)16)8-2-4-9(13)5-3-8/h2-5,10,17H,6-7H2,1H3/t10-,11-/m1/s1.
What are the key properties of (2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine?
(2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 356.21 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(4-bromophenyl)-4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 68552680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).