3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C11H11F3N2O2 — CID 46912465

IUPAC3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESNCc1ccc(N2CCOC2=O)cc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)9-5-8(2-1-7(9)6-15)16-3-4-18-10(16)17/h1-2,5H,3-4,6,15H2
InChIKeyWNDPLPQXFDMVQH-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.12
Rot. Bonds2

About 3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 46912465) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID46912465
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESNCc1ccc(N2CCOC2=O)cc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)9-5-8(2-1-7(9)6-15)16-3-4-18-10(16)17/h1-2,5H,3-4,6,15H2
InChIKeyWNDPLPQXFDMVQH-UHFFFAOYSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 112556092
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-4-hydroxypyrrolidin-2-one
CID 46912463
3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 21069848
[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43320822
3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one
CID 82015368
3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 89289415
[4-(2-methyl-1,4-oxazepan-4-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62988072
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate
CID 155671088
ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one
CID 142959710
methyl-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]carbamothioic S-acid
CID 21026141
[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 79579759

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 46912465) is 3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is NCc1ccc(N2CCOC2=O)cc1C(F)(F)F.
What is the InChIKey of 3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is WNDPLPQXFDMVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)9-5-8(2-1-7(9)6-15)16-3-4-18-10(16)17/h1-2,5H,3-4,6,15H2.
What are the key properties of 3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 260.21 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46912465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).