5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran

C11H13FO — CID 167223083

IUPAC5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran
SMILESC=CC1=C(C)OCC=C1/C=C(\C)F
InChIInChI=1S/C11H13FO/c1-4-11-9(3)13-6-5-10(11)7-8(2)12/h4-5,7H,1,6H2,2-3H3/b8-7+
InChIKeyLGXBOTUQTXQSQX-BQYQJAHWSA-N
MW180.22 g/mol
LogP3.28
Rot. Bonds2

About 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran

5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran (PubChem CID 167223083) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran.

Molecular Properties

Compound Name5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran
PubChem CID167223083
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran
SMILESC=CC1=C(C)OCC=C1/C=C(\C)F
InChIInChI=1S/C11H13FO/c1-4-11-9(3)13-6-5-10(11)7-8(2)12/h4-5,7H,1,6H2,2-3H3/b8-7+
InChIKeyLGXBOTUQTXQSQX-BQYQJAHWSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran?
The IUPAC name of 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran (CID 167223083) is 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran.
What is the SMILES notation for 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran?
The canonical SMILES for 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran is C=CC1=C(C)OCC=C1/C=C(\C)F.
What is the InChIKey of 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran?
The InChIKey is LGXBOTUQTXQSQX-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H13FO/c1-4-11-9(3)13-6-5-10(11)7-8(2)12/h4-5,7H,1,6H2,2-3H3/b8-7+.
What are the key properties of 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran?
5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran has a molecular weight of 180.22 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran is sourced from PubChem (CID 167223083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).