3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

C11H9F4NO2 — CID 72846678

IUPAC3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H9F4NO2/c12-9-7(6-16-4-5-18-10(16)17)2-1-3-8(9)11(13,14)15/h1-3H,4-6H2
InChIKeyRXONYKXBDYUKGI-UHFFFAOYSA-N
MW263.19 g/mol
LogP2.80
Rot. Bonds2

About 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 72846678) has the molecular formula C11H9F4NO2 and a molecular weight of 263.19 g/mol. Its IUPAC name is 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID72846678
Molecular FormulaC11H9F4NO2
Molecular Weight263.19 g/mol
Exact Mass263.06
IUPAC Name3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H9F4NO2/c12-9-7(6-16-4-5-18-10(16)17)2-1-3-8(9)11(13,14)15/h1-3H,4-6H2
InChIKeyRXONYKXBDYUKGI-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Oxazolidinedione, 3-benzyl-
CID 230350
(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591773
US10030020, Example 152
CID 132114588
US10030020, Example 150
CID 132114864
ethyl N-benzyl-N-(trifluoromethyl)carbamate
CID 162659460
US10781211, Example 258
CID 155440959
(5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 24752749
(5R)-5-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 24752750
(5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 24752751
3-[2-[4-[(2-Fluorophenyl)methyl]-1,4-diazepan-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 53588729
3-[2-Fluoro-5-(trifluoromethyl)benzyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72840720
3-[3-Fluoro-2-(trifluoromethyl)benzyl]-1,3-oxazolidin-2-one
CID 72858836

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 72846678) is 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1OCCN1Cc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is RXONYKXBDYUKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO2/c12-9-7(6-16-4-5-18-10(16)17)2-1-3-8(9)11(13,14)15/h1-3H,4-6H2.
What are the key properties of 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 263.19 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72846678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).