5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran

C13H12F2O — CID 11172082

IUPAC5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran
SMILESC=CC1CCOC=C1c1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2O/c1-2-9-5-6-16-8-11(9)10-3-4-12(14)13(15)7-10/h2-4,7-9H,1,5-6H2
InChIKeyNXRIGNHVTKMKMW-UHFFFAOYSA-N
MW222.23 g/mol
LogP3.53
Rot. Bonds2

About 5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran

5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran (PubChem CID 11172082) has the molecular formula C13H12F2O and a molecular weight of 222.23 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran
PubChem CID11172082
Molecular FormulaC13H12F2O
Molecular Weight222.23 g/mol
Exact Mass222.09
IUPAC Name5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran
SMILESC=CC1CCOC=C1c1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2O/c1-2-9-5-6-16-8-11(9)10-3-4-12(14)13(15)7-10/h2-4,7-9H,1,5-6H2
InChIKeyNXRIGNHVTKMKMW-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran (CID 11172082) is 5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran is C=CC1CCOC=C1c1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran?
The InChIKey is NXRIGNHVTKMKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O/c1-2-9-5-6-16-8-11(9)10-3-4-12(14)13(15)7-10/h2-4,7-9H,1,5-6H2.
What are the key properties of 5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran?
5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran has a molecular weight of 222.23 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 5-(3,4-difluorophenyl)-4-ethenyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11172082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).