5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one

C8H12F3NO2 — CID 116536272

IUPAC5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one
SMILESCC1(CCCC(F)(F)F)CNC(=O)O1
InChIInChI=1S/C8H12F3NO2/c1-7(5-12-6(13)14-7)3-2-4-8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeySYMYVAQCMBOLKP-UHFFFAOYSA-N
MW211.18 g/mol
LogP2.22
Rot. Bonds3

About 5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one

5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one (PubChem CID 116536272) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one
PubChem CID116536272
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one
SMILESCC1(CCCC(F)(F)F)CNC(=O)O1
InChIInChI=1S/C8H12F3NO2/c1-7(5-12-6(13)14-7)3-2-4-8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeySYMYVAQCMBOLKP-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one
CID 117158906
[2-methyl-5-(5-methyl-2-oxo-1,3-oxazolidin-5-yl)pentan-2-yl]carbamic acid
CID 175351195
5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one
CID 14698772
5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one
CID 118272400
5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 117158969
5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 117158984
5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 117158949
5-methyl-5-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one
CID 117158959
3-(4,4,4-trifluorobutyl)azetidin-3-ol
CID 115515613
1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
CID 116536433
4-methyl-4-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 116536139
CID 171575890
CID 171575890

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one (CID 116536272) is 5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one is CC1(CCCC(F)(F)F)CNC(=O)O1.
What is the InChIKey of 5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one?
The InChIKey is SYMYVAQCMBOLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-7(5-12-6(13)14-7)3-2-4-8(9,10)11/h2-5H2,1H3,(H,12,13).
What are the key properties of 5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one?
5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one has a molecular weight of 211.18 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 116536272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).