2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran

C17H20F2O — CID 71120419

IUPAC2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran
SMILESCCCC1=CCC(C2Cc3cc(F)c(F)cc3C2)OC1
InChIInChI=1S/C17H20F2O/c1-2-3-11-4-5-17(20-10-11)14-6-12-8-15(18)16(19)9-13(12)7-14/h4,8-9,14,17H,2-3,5-7,10H2,1H3
InChIKeyFKHZRPLSQISDCW-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.20
Rot. Bonds3

About 2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran

2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran (PubChem CID 71120419) has the molecular formula C17H20F2O and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran
PubChem CID71120419
Molecular FormulaC17H20F2O
Molecular Weight278.34 g/mol
Exact Mass278.15
IUPAC Name2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran
SMILESCCCC1=CCC(C2Cc3cc(F)c(F)cc3C2)OC1
InChIInChI=1S/C17H20F2O/c1-2-3-11-4-5-17(20-10-11)14-6-12-8-15(18)16(19)9-13(12)7-14/h4,8-9,14,17H,2-3,5-7,10H2,1H3
InChIKeyFKHZRPLSQISDCW-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.20
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 2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran (CID 71120419) is 2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran is CCCC1=CCC(C2Cc3cc(F)c(F)cc3C2)OC1.
What is the InChIKey of 2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran?
The InChIKey is FKHZRPLSQISDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2O/c1-2-3-11-4-5-17(20-10-11)14-6-12-8-15(18)16(19)9-13(12)7-14/h4,8-9,14,17H,2-3,5-7,10H2,1H3.
What are the key properties of 2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran?
2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran has a molecular weight of 278.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 71120419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).