2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate

C10H11F4NO4 — CID 154763566

IUPAC2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
SMILESCOc1cc(CCC(=O)OCC(F)(F)C(F)F)on1
InChIInChI=1S/C10H11F4NO4/c1-17-7-4-6(19-15-7)2-3-8(16)18-5-10(13,14)9(11)12/h4,9H,2-3,5H2,1H3
InChIKeyBBXALRVQDFHQGV-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.06
Rot. Bonds7

About 2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate

2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate (PubChem CID 154763566) has the molecular formula C10H11F4NO4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
PubChem CID154763566
Molecular FormulaC10H11F4NO4
Molecular Weight285.19 g/mol
Exact Mass285.06
IUPAC Name2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
SMILESCOc1cc(CCC(=O)OCC(F)(F)C(F)F)on1
InChIInChI=1S/C10H11F4NO4/c1-17-7-4-6(19-15-7)2-3-8(16)18-5-10(13,14)9(11)12/h4,9H,2-3,5H2,1H3
InChIKeyBBXALRVQDFHQGV-UHFFFAOYSA-N
XLogP2.06
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Methoxy-1,2-oxazol-5-yl)propanoic acid
CID 327719
3-(3-Ethoxyisoxazol-5-yl)propanoic acid
CID 6484473
3-(2,2-Difluoroethoxy)-5-ethyl-1,2-oxazole
CID 168169023
3-(2,2-Difluoroethoxy)-5-propan-2-yl-1,2-oxazole
CID 177999680
3,3-Difluoro-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol
CID 165629687
3,3-Difluoro-3-(3-methoxy-1,2-oxazol-5-yl)propanoic acid
CID 165646370
2,2-Difluoro-3-(3-methoxy-1,2-oxazol-5-yl)propanoic acid
CID 165708018
1,1,1-Trifluoro-3-(3-methoxy-1,2-oxazol-5-yl)propan-2-one
CID 165839356
5-(3-Methoxy-isoxazol-5-yl)-3-oxo-pentanoic acid methyl ester
CID 46949941
3-(3-Isopropoxy-isoxazol-5-yl)-propionic acid
CID 3161865
Ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate
CID 13395786
3-(3-Methoxyisoxazol-5-yl)propan-1-ol
CID 45099142

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate (CID 154763566) is 2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate is COc1cc(CCC(=O)OCC(F)(F)C(F)F)on1.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate?
The InChIKey is BBXALRVQDFHQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO4/c1-17-7-4-6(19-15-7)2-3-8(16)18-5-10(13,14)9(11)12/h4,9H,2-3,5H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate?
2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate has a molecular weight of 285.19 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate is sourced from PubChem (CID 154763566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).