3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one

C13H13F4NO3 — CID 150361272

IUPAC3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1cccc(C(O)C(F)(F)C(F)F)c1
InChIInChI=1S/C13H13F4NO3/c14-11(15)13(16,17)10(19)9-3-1-2-8(6-9)7-18-4-5-21-12(18)20/h1-3,6,10-11,19H,4-5,7H2
InChIKeyGVTMHCWXXMWQBD-UHFFFAOYSA-N
MW307.24 g/mol
LogP2.57
Rot. Bonds5

About 3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one

3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 150361272) has the molecular formula C13H13F4NO3 and a molecular weight of 307.24 g/mol. Its IUPAC name is 3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID150361272
Molecular FormulaC13H13F4NO3
Molecular Weight307.24 g/mol
Exact Mass307.08
IUPAC Name3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1cccc(C(O)C(F)(F)C(F)F)c1
InChIInChI=1S/C13H13F4NO3/c14-11(15)13(16,17)10(19)9-3-1-2-8(6-9)7-18-4-5-21-12(18)20/h1-3,6,10-11,19H,4-5,7H2
InChIKeyGVTMHCWXXMWQBD-UHFFFAOYSA-N
XLogP2.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea
CID 94801412
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride
CID 142664980
3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one
CID 142988742
3-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 75414112
[1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-phenyl-2-(phenylmethoxycarbonylamino)propyl] acetate
CID 142657362
2,6-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide
CID 47063050
3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one
CID 21180826
3-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 72891391
[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid
CID 131735840
3-(2,3-dichlorophenyl)-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]propanamide
CID 47042427
N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 47039681
1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one
CID 79660272

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 150361272) is 3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1OCCN1Cc1cccc(C(O)C(F)(F)C(F)F)c1.
What is the InChIKey of 3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is GVTMHCWXXMWQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO3/c14-11(15)13(16,17)10(19)9-3-1-2-8(6-9)7-18-4-5-21-12(18)20/h1-3,6,10-11,19H,4-5,7H2.
What are the key properties of 3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one?
3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 307.24 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,2,3,3-tetrafluoro-1-hydroxypropyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 150361272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).