1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol

C7H8F2O3 — CID 173135468

IUPAC1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol
SMILESOC(F)(F)COC1C=CC=CO1
InChIInChI=1S/C7H8F2O3/c8-7(9,10)5-12-6-3-1-2-4-11-6/h1-4,6,10H,5H2
InChIKeyNHBJUAPCKSGCDK-UHFFFAOYSA-N
MW178.13 g/mol
LogP1.01
Rot. Bonds3

About 1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol

1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol (PubChem CID 173135468) has the molecular formula C7H8F2O3 and a molecular weight of 178.13 g/mol. Its IUPAC name is 1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol.

Molecular Properties

Compound Name1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol
PubChem CID173135468
Molecular FormulaC7H8F2O3
Molecular Weight178.13 g/mol
Exact Mass178.04
IUPAC Name1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol
SMILESOC(F)(F)COC1C=CC=CO1
InChIInChI=1S/C7H8F2O3/c8-7(9,10)5-12-6-3-1-2-4-11-6/h1-4,6,10H,5H2
InChIKeyNHBJUAPCKSGCDK-UHFFFAOYSA-N
XLogP1.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyranyloxy ethanol
CID 66776924
2-propoxy-2H-pyran-3-ol
CID 141151007

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol?
The IUPAC name of 1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol (CID 173135468) is 1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol.
What is the SMILES notation for 1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol?
The canonical SMILES for 1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol is OC(F)(F)COC1C=CC=CO1.
What is the InChIKey of 1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol?
The InChIKey is NHBJUAPCKSGCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O3/c8-7(9,10)5-12-6-3-1-2-4-11-6/h1-4,6,10H,5H2.
What are the key properties of 1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol?
1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol has a molecular weight of 178.13 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(2H-pyran-2-yloxy)ethanol is sourced from PubChem (CID 173135468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).