2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid

C7H8F2O3 — CID 84717977

IUPAC2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)C1=COCCC1
InChIInChI=1S/C7H8F2O3/c8-7(9,6(10)11)5-2-1-3-12-4-5/h4H,1-3H2,(H,10,11)
InChIKeyQJQYGOCORPLILN-UHFFFAOYSA-N
MW178.13 g/mol
LogP1.40
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid

2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid (PubChem CID 84717977) has the molecular formula C7H8F2O3 and a molecular weight of 178.13 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid
PubChem CID84717977
Molecular FormulaC7H8F2O3
Molecular Weight178.13 g/mol
Exact Mass178.04
IUPAC Name2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)C1=COCCC1
InChIInChI=1S/C7H8F2O3/c8-7(9,6(10)11)5-2-1-3-12-4-5/h4H,1-3H2,(H,10,11)
InChIKeyQJQYGOCORPLILN-UHFFFAOYSA-N
XLogP1.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid (CID 84717977) is 2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)C1=COCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid?
The InChIKey is QJQYGOCORPLILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O3/c8-7(9,6(10)11)5-2-1-3-12-4-5/h4H,1-3H2,(H,10,11).
What are the key properties of 2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid?
2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid has a molecular weight of 178.13 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 84717977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).