6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran

C12H16F2O — CID 130435926

IUPAC6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran
SMILESC/C=C(C)\C(F)=C(\F)C1=CCCC(C)O1
InChIInChI=1S/C12H16F2O/c1-4-8(2)11(13)12(14)10-7-5-6-9(3)15-10/h4,7,9H,5-6H2,1-3H3/b8-4-,12-11-
InChIKeyWKJRKZHTIPUUDW-JYYRYHNYSA-N
MW214.25 g/mol
LogP4.19
Rot. Bonds2

About 6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran

6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran (PubChem CID 130435926) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran
PubChem CID130435926
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran
SMILESC/C=C(C)\C(F)=C(\F)C1=CCCC(C)O1
InChIInChI=1S/C12H16F2O/c1-4-8(2)11(13)12(14)10-7-5-6-9(3)15-10/h4,7,9H,5-6H2,1-3H3/b8-4-,12-11-
InChIKeyWKJRKZHTIPUUDW-JYYRYHNYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-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 6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran (CID 130435926) is 6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran is C/C=C(C)\C(F)=C(\F)C1=CCCC(C)O1.
What is the InChIKey of 6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran?
The InChIKey is WKJRKZHTIPUUDW-JYYRYHNYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-4-8(2)11(13)12(14)10-7-5-6-9(3)15-10/h4,7,9H,5-6H2,1-3H3/b8-4-,12-11-.
What are the key properties of 6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran?
6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran has a molecular weight of 214.25 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 130435926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).