(2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine

C18H17F4NOS — CID 68962761

IUPAC(2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine
SMILESFc1ccc([C@@]2(C(F)(F)F)N[C@@H](CSCc3ccccc3)CO2)cc1
InChIInChI=1S/C18H17F4NOS/c19-15-8-6-14(7-9-15)17(18(20,21)22)23-16(10-24-17)12-25-11-13-4-2-1-3-5-13/h1-9,16,23H,10-12H2/t16-,17-/m1/s1
InChIKeyHHPXTELUDJNWKQ-IAGOWNOFSA-N
MW371.40 g/mol
LogP4.46
Rot. Bonds5

About (2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine

(2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 68962761) has the molecular formula C18H17F4NOS and a molecular weight of 371.40 g/mol. Its IUPAC name is (2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine
PubChem CID68962761
Molecular FormulaC18H17F4NOS
Molecular Weight371.40 g/mol
Exact Mass371.10
IUPAC Name(2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine
SMILESFc1ccc([C@@]2(C(F)(F)F)N[C@@H](CSCc3ccccc3)CO2)cc1
InChIInChI=1S/C18H17F4NOS/c19-15-8-6-14(7-9-15)17(18(20,21)22)23-16(10-24-17)12-25-11-13-4-2-1-3-5-13/h1-9,16,23H,10-12H2/t16-,17-/m1/s1
InChIKeyHHPXTELUDJNWKQ-IAGOWNOFSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of (2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine (CID 68962761) is (2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for (2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for (2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine is Fc1ccc([C@@]2(C(F)(F)F)N[C@@H](CSCc3ccccc3)CO2)cc1.
What is the InChIKey of (2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is HHPXTELUDJNWKQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H17F4NOS/c19-15-8-6-14(7-9-15)17(18(20,21)22)23-16(10-24-17)12-25-11-13-4-2-1-3-5-13/h1-9,16,23H,10-12H2/t16-,17-/m1/s1.
What are the key properties of (2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine?
(2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 371.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 68962761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).