6-(difluoromethyl)-3,4-dihydro-2H-pyran

C6H8F2O — CID 54476084

IUPAC6-(difluoromethyl)-3,4-dihydro-2H-pyran
SMILESFC(F)C1=CCCCO1
InChIInChI=1S/C6H8F2O/c7-6(8)5-3-1-2-4-9-5/h3,6H,1-2,4H2
InChIKeyUTKWAXHNJDQOTN-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.95
Rot. Bonds1

About 6-(difluoromethyl)-3,4-dihydro-2H-pyran

6-(difluoromethyl)-3,4-dihydro-2H-pyran (PubChem CID 54476084) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(difluoromethyl)-3,4-dihydro-2H-pyran
PubChem CID54476084
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name6-(difluoromethyl)-3,4-dihydro-2H-pyran
SMILESFC(F)C1=CCCCO1
InChIInChI=1S/C6H8F2O/c7-6(8)5-3-1-2-4-9-5/h3,6H,1-2,4H2
InChIKeyUTKWAXHNJDQOTN-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(difluoromethyl)-3,4-dihydro-2H-pyran (CID 54476084) is 6-(difluoromethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(difluoromethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(difluoromethyl)-3,4-dihydro-2H-pyran is FC(F)C1=CCCCO1.
What is the InChIKey of 6-(difluoromethyl)-3,4-dihydro-2H-pyran?
The InChIKey is UTKWAXHNJDQOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c7-6(8)5-3-1-2-4-9-5/h3,6H,1-2,4H2.
What are the key properties of 6-(difluoromethyl)-3,4-dihydro-2H-pyran?
6-(difluoromethyl)-3,4-dihydro-2H-pyran has a molecular weight of 134.12 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 54476084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).