(4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride

C10H8ClF4NO3 — CID 171184750

IUPAC(4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2cc(OC(F)(F)F)ccc2F)CO1
InChIInChI=1S/C10H7F4NO3.ClH/c11-7-2-1-5(18-10(12,13)14)3-6(7)8-4-17-9(16)15-8;/h1-3,8H,4H2,(H,15,16);1H/t8-;/m0./s1
InChIKeyXDHPEGLVMDLWMJ-QRPNPIFTSA-N
MW301.62 g/mol
LogP2.93
Rot. Bonds2

About (4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride

(4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171184750) has the molecular formula C10H8ClF4NO3 and a molecular weight of 301.62 g/mol. Its IUPAC name is (4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171184750
Molecular FormulaC10H8ClF4NO3
Molecular Weight301.62 g/mol
Exact Mass301.01
IUPAC Name(4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2cc(OC(F)(F)F)ccc2F)CO1
InChIInChI=1S/C10H7F4NO3.ClH/c11-7-2-1-5(18-10(12,13)14)3-6(7)8-4-17-9(16)15-8;/h1-3,8H,4H2,(H,15,16);1H/t8-;/m0./s1
InChIKeyXDHPEGLVMDLWMJ-QRPNPIFTSA-N
XLogP2.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.62
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 10878645
4-(4-Methoxyphenyl)oxazolidin-2-one
CID 12470952
(4S)-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 130067439
(4RS,5SR)-5-(4-fluorophenyl)-4-((3-(2,2,2-trifluoroethoxy)phenyl)methyl)-1,3-oxazolidin-2-one
CID 22261662
5-(4-Fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 22261684
(4RS,5SR)-5-(3-fluorophenyl)-4-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]-1,3-oxazolidin-2-one
CID 22261713
(4RS,5SR)-5-(4-fluorophenyl)-4-((3-(2,2,3,3-tetrafluoropropyloxy)phenyl)methyl)-1,3-oxazolidin-2-one
CID 22261965
5-(4-Fluorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 22262067
(4RS,5SR)-5-(4-Fluorophenyl)-4-[3-(trifluoromethoxy)benzyl]-1,3-oxazolidin-2-one
CID 22262077
(2R)-2-[3-(difluoromethoxy)phenyl]pyrrolidine
CID 28973936
tert-butyl N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]carbamate
CID 59462114
5-Hexyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 59580297

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride (CID 171184750) is (4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1N[C@H](c2cc(OC(F)(F)F)ccc2F)CO1.
What is the InChIKey of (4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is XDHPEGLVMDLWMJ-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H7F4NO3.ClH/c11-7-2-1-5(18-10(12,13)14)3-6(7)8-4-17-9(16)15-8;/h1-3,8H,4H2,(H,15,16);1H/t8-;/m0./s1.
What are the key properties of (4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
(4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 301.62 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171184750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).