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

C10H16F2O3 — CID 103147727

IUPAC3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol
SMILESOC(CCOCC(F)F)C1=CCCCO1
InChIInChI=1S/C10H16F2O3/c11-10(12)7-14-6-4-8(13)9-3-1-2-5-15-9/h3,8,10,13H,1-2,4-7H2
InChIKeyNRIGLXOBOUYORH-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.71
Rot. Bonds6

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

3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol (PubChem CID 103147727) has the molecular formula C10H16F2O3 and a molecular weight of 222.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol
PubChem CID103147727
Molecular FormulaC10H16F2O3
Molecular Weight222.23 g/mol
Exact Mass222.11
IUPAC Name3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol
SMILESOC(CCOCC(F)F)C1=CCCCO1
InChIInChI=1S/C10H16F2O3/c11-10(12)7-14-6-4-8(13)9-3-1-2-5-15-9/h3,8,10,13H,1-2,4-7H2
InChIKeyNRIGLXOBOUYORH-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.71
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 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol (CID 103147727) is 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol is OC(CCOCC(F)F)C1=CCCCO1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol?
The InChIKey is NRIGLXOBOUYORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O3/c11-10(12)7-14-6-4-8(13)9-3-1-2-5-15-9/h3,8,10,13H,1-2,4-7H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol?
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol has a molecular weight of 222.23 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol is sourced from PubChem (CID 103147727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).