1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran

C20H20F2O — CID 175372331

IUPAC1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran
SMILESCCCC1C=CC=CO1.Fc1cc(F)cc(-c2ccccc2)c1
InChIInChI=1S/C12H8F2.C8H12O/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9;1-2-5-8-6-3-4-7-9-8/h1-8H;3-4,6-8H,2,5H2,1H3
InChIKeyLDPAAFDSEJXOJI-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.89
Rot. Bonds3

About 1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran

1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran (PubChem CID 175372331) has the molecular formula C20H20F2O and a molecular weight of 314.38 g/mol. Its IUPAC name is 1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran.

Molecular Properties

Compound Name1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran
PubChem CID175372331
Molecular FormulaC20H20F2O
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran
SMILESCCCC1C=CC=CO1.Fc1cc(F)cc(-c2ccccc2)c1
InChIInChI=1S/C12H8F2.C8H12O/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9;1-2-5-8-6-3-4-7-9-8/h1-8H;3-4,6-8H,2,5H2,1H3
InChIKeyLDPAAFDSEJXOJI-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-difluoro-5-phenylbenzene;2-propyl-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 1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran?
The IUPAC name of 1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran (CID 175372331) is 1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran.
What is the SMILES notation for 1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran?
The canonical SMILES for 1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran is CCCC1C=CC=CO1.Fc1cc(F)cc(-c2ccccc2)c1.
What is the InChIKey of 1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran?
The InChIKey is LDPAAFDSEJXOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2.C8H12O/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9;1-2-5-8-6-3-4-7-9-8/h1-8H;3-4,6-8H,2,5H2,1H3.
What are the key properties of 1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran?
1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran has a molecular weight of 314.38 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-phenylbenzene;2-propyl-2H-pyran is sourced from PubChem (CID 175372331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).