5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol

C7H6F7NO2 — CID 134108573

IUPAC5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol
SMILESCC1=NOC(O)(C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C7H6F7NO2/c1-3-2-4(16,17-15-3)5(8,9)6(10,11)7(12,13)14/h16H,2H2,1H3
InChIKeyYEUVCUXTVDRUPJ-UHFFFAOYSA-N
MW269.12 g/mol
LogP2.30
Rot. Bonds2

About 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol

5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol (PubChem CID 134108573) has the molecular formula C7H6F7NO2 and a molecular weight of 269.12 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol
PubChem CID134108573
Molecular FormulaC7H6F7NO2
Molecular Weight269.12 g/mol
Exact Mass269.03
IUPAC Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol
SMILESCC1=NOC(O)(C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C7H6F7NO2/c1-3-2-4(16,17-15-3)5(8,9)6(10,11)7(12,13)14/h16H,2H2,1H3
InChIKeyYEUVCUXTVDRUPJ-UHFFFAOYSA-N
XLogP2.30
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 52.30
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

4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole
CID 4218975
5-Hydroxy-3-methyl-5(trifluoromethyl)-1,2-oxazol-4(5h)-one oxime
CID 138756299
3-Ethyl-5-(trifluoromethyl)-2-isoxazolin-5-ol
CID 10058180
5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-methyl-4H-1,2-oxazol-5-ol
CID 10107682
5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol
CID 10402161
(5R)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1402754
(5S)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1402755
3-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-4H-1,2-oxazol-5-ol
CID 15352260
5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 43829391
3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol
CID 132548551
3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 177569156

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol (CID 134108573) is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol is CC1=NOC(O)(C(F)(F)C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol?
The InChIKey is YEUVCUXTVDRUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F7NO2/c1-3-2-4(16,17-15-3)5(8,9)6(10,11)7(12,13)14/h16H,2H2,1H3.
What are the key properties of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol?
5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol has a molecular weight of 269.12 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 134108573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).