3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride

C12H10ClF6NO2 — CID 142664980

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1OCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H9F6NO2.ClH/c13-11(14,15)8-3-7(4-9(5-8)12(16,17)18)6-19-1-2-21-10(19)20;/h3-5H,1-2,6H2;1H
InChIKeyQYAFUSULORMSSV-UHFFFAOYSA-N
MW349.66 g/mol
LogP4.10
Rot. Bonds2

About 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride

3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 142664980) has the molecular formula C12H10ClF6NO2 and a molecular weight of 349.66 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID142664980
Molecular FormulaC12H10ClF6NO2
Molecular Weight349.66 g/mol
Exact Mass349.03
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1OCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H9F6NO2.ClH/c13-11(14,15)8-3-7(4-9(5-8)12(16,17)18)6-19-1-2-21-10(19)20;/h3-5H,1-2,6H2;1H
InChIKeyQYAFUSULORMSSV-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 75414112
3-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 72891391
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(3,4-dichlorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 142664984
3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 103350065
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 141178783
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 87929151
2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
CID 114324862
3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one
CID 142988742
1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 112708064
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 150361272
[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid
CID 131735840

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride (CID 142664980) is 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1OCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is QYAFUSULORMSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6NO2.ClH/c13-11(14,15)8-3-7(4-9(5-8)12(16,17)18)6-19-1-2-21-10(19)20;/h3-5H,1-2,6H2;1H.
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride?
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 349.66 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 142664980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).