6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran

C11H16F2O — CID 71070316

IUPAC6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(/C(F)=C(/C)CF)OCC(C)C1
InChIInChI=1S/C11H16F2O/c1-7-4-8(2)11(14-6-7)10(13)9(3)5-12/h7H,4-6H2,1-3H3/b10-9+
InChIKeyLHSCUISQLBWOGI-MDZDMXLPSA-N
MW202.24 g/mol
LogP3.53
Rot. Bonds2

About 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran

6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 71070316) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
PubChem CID71070316
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(/C(F)=C(/C)CF)OCC(C)C1
InChIInChI=1S/C11H16F2O/c1-7-4-8(2)11(14-6-7)10(13)9(3)5-12/h7H,4-6H2,1-3H3/b10-9+
InChIKeyLHSCUISQLBWOGI-MDZDMXLPSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran (CID 71070316) is 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran is CC1=C(/C(F)=C(/C)CF)OCC(C)C1.
What is the InChIKey of 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is LHSCUISQLBWOGI-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H16F2O/c1-7-4-8(2)11(14-6-7)10(13)9(3)5-12/h7H,4-6H2,1-3H3/b10-9+.
What are the key properties of 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran?
6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 202.24 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 71070316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).