1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

C10H15F3O3 — CID 103147449

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C10H15F3O3/c11-10(12,13)7-15-6-4-8(14)9-3-1-2-5-16-9/h3,8,14H,1-2,4-7H2
InChIKeyIEOJUVDKSOQGDB-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.01
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 103147449) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID103147449
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C10H15F3O3/c11-10(12,13)7-15-6-4-8(14)9-3-1-2-5-16-9/h3,8,14H,1-2,4-7H2
InChIKeyIEOJUVDKSOQGDB-UHFFFAOYSA-N
XLogP2.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 103147449) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is OC(CCOCC(F)(F)F)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is IEOJUVDKSOQGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O3/c11-10(12,13)7-15-6-4-8(14)9-3-1-2-5-16-9/h3,8,14H,1-2,4-7H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 240.22 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 103147449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).