3,5-bis(difluoromethyl)-2H-pyran

C7H6F4O — CID 68794114

IUPAC3,5-bis(difluoromethyl)-2H-pyran
SMILESFC(F)C1=COCC(C(F)F)=C1
InChIInChI=1S/C7H6F4O/c8-6(9)4-1-5(7(10)11)3-12-2-4/h1-2,6-7H,3H2
InChIKeyNBJHGQUUNVCZRO-UHFFFAOYSA-N
MW182.12 g/mol
LogP2.36
Rot. Bonds2

About 3,5-bis(difluoromethyl)-2H-pyran

3,5-bis(difluoromethyl)-2H-pyran (PubChem CID 68794114) has the molecular formula C7H6F4O and a molecular weight of 182.12 g/mol. Its IUPAC name is 3,5-bis(difluoromethyl)-2H-pyran.

Molecular Properties

Compound Name3,5-bis(difluoromethyl)-2H-pyran
PubChem CID68794114
Molecular FormulaC7H6F4O
Molecular Weight182.12 g/mol
Exact Mass182.04
IUPAC Name3,5-bis(difluoromethyl)-2H-pyran
SMILESFC(F)C1=COCC(C(F)F)=C1
InChIInChI=1S/C7H6F4O/c8-6(9)4-1-5(7(10)11)3-12-2-4/h1-2,6-7H,3H2
InChIKeyNBJHGQUUNVCZRO-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(difluoromethyl)-2H-pyran?
The IUPAC name of 3,5-bis(difluoromethyl)-2H-pyran (CID 68794114) is 3,5-bis(difluoromethyl)-2H-pyran.
What is the SMILES notation for 3,5-bis(difluoromethyl)-2H-pyran?
The canonical SMILES for 3,5-bis(difluoromethyl)-2H-pyran is FC(F)C1=COCC(C(F)F)=C1.
What is the InChIKey of 3,5-bis(difluoromethyl)-2H-pyran?
The InChIKey is NBJHGQUUNVCZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4O/c8-6(9)4-1-5(7(10)11)3-12-2-4/h1-2,6-7H,3H2.
What are the key properties of 3,5-bis(difluoromethyl)-2H-pyran?
3,5-bis(difluoromethyl)-2H-pyran has a molecular weight of 182.12 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(difluoromethyl)-2H-pyran is sourced from PubChem (CID 68794114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).