1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C9H13F3N2O3 — CID 63349562

IUPAC1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCCCOCc1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C9H13F3N2O3/c1-2-3-16-5-7-13-8(17-14-7)4-6(15)9(10,11)12/h6,15H,2-5H2,1H3
InChIKeyRCBPMPBCAOAURW-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.46
Rot. Bonds6

About 1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 63349562) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID63349562
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCCCOCc1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C9H13F3N2O3/c1-2-3-16-5-7-13-8(17-14-7)4-6(15)9(10,11)12/h6,15H,2-5H2,1H3
InChIKeyRCBPMPBCAOAURW-UHFFFAOYSA-N
XLogP1.46
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 63349562) is 1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is CCCOCc1noc(CC(O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is RCBPMPBCAOAURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-2-3-16-5-7-13-8(17-14-7)4-6(15)9(10,11)12/h6,15H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 254.21 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 63349562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).