5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran

C12H16FIO — CID 89247406

IUPAC5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESC/C=C(\I)C1=C(/C=C(\C)F)CC(C)CO1
InChIInChI=1S/C12H16FIO/c1-4-11(14)12-10(6-9(3)13)5-8(2)7-15-12/h4,6,8H,5,7H2,1-3H3/b9-6+,11-4-
InChIKeyIWUFMMZANWGMLN-RAERUFQZSA-N
MW322.16 g/mol
LogP4.51
Rot. Bonds2

About 5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran

5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 89247406) has the molecular formula C12H16FIO and a molecular weight of 322.16 g/mol. Its IUPAC name is 5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
PubChem CID89247406
Molecular FormulaC12H16FIO
Molecular Weight322.16 g/mol
Exact Mass322.02
IUPAC Name5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESC/C=C(\I)C1=C(/C=C(\C)F)CC(C)CO1
InChIInChI=1S/C12H16FIO/c1-4-11(14)12-10(6-9(3)13)5-8(2)7-15-12/h4,6,8H,5,7H2,1-3H3/b9-6+,11-4-
InChIKeyIWUFMMZANWGMLN-RAERUFQZSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran (CID 89247406) is 5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran is C/C=C(\I)C1=C(/C=C(\C)F)CC(C)CO1.
What is the InChIKey of 5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is IWUFMMZANWGMLN-RAERUFQZSA-N. The full InChI is InChI=1S/C12H16FIO/c1-4-11(14)12-10(6-9(3)13)5-8(2)7-15-12/h4,6,8H,5,7H2,1-3H3/b9-6+,11-4-.
What are the key properties of 5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 322.16 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-fluoroprop-1-enyl]-6-[(Z)-1-iodoprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).