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

C6H8F2O — CID 115011275

IUPAC5-(difluoromethyl)-3,4-dihydro-2H-pyran
SMILESFC(F)C1=COCCC1
InChIInChI=1S/C6H8F2O/c7-6(8)5-2-1-3-9-4-5/h4,6H,1-3H2
InChIKeyMTUHRLWJSFZMAP-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.95
Rot. Bonds1

About 5-(difluoromethyl)-3,4-dihydro-2H-pyran

5-(difluoromethyl)-3,4-dihydro-2H-pyran (PubChem CID 115011275) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-(difluoromethyl)-3,4-dihydro-2H-pyran
PubChem CID115011275
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name5-(difluoromethyl)-3,4-dihydro-2H-pyran
SMILESFC(F)C1=COCCC1
InChIInChI=1S/C6H8F2O/c7-6(8)5-2-1-3-9-4-5/h4,6H,1-3H2
InChIKeyMTUHRLWJSFZMAP-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 5-(difluoromethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 5-(difluoromethyl)-3,4-dihydro-2H-pyran (CID 115011275) is 5-(difluoromethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-(difluoromethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-(difluoromethyl)-3,4-dihydro-2H-pyran is FC(F)C1=COCCC1.
What is the InChIKey of 5-(difluoromethyl)-3,4-dihydro-2H-pyran?
The InChIKey is MTUHRLWJSFZMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c7-6(8)5-2-1-3-9-4-5/h4,6H,1-3H2.
What are the key properties of 5-(difluoromethyl)-3,4-dihydro-2H-pyran?
5-(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 5-(difluoromethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 115011275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).