7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C18H18F2 — CID 20642739

IUPAC7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESCCCC1c2cccc(F)c2CCc2c(F)cccc21
InChIInChI=1S/C18H18F2/c1-2-5-12-13-6-3-8-17(19)15(13)10-11-16-14(12)7-4-9-18(16)20/h3-4,6-9,12H,2,5,10-11H2,1H3
InChIKeyQESLUKPPFNWUBY-UHFFFAOYSA-N
MW272.34 g/mol
LogP5.00
Rot. Bonds2

About 7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 20642739) has the molecular formula C18H18F2 and a molecular weight of 272.34 g/mol. Its IUPAC name is 7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID20642739
Molecular FormulaC18H18F2
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESCCCC1c2cccc(F)c2CCc2c(F)cccc21
InChIInChI=1S/C18H18F2/c1-2-5-12-13-6-3-8-17(19)15(13)10-11-16-14(12)7-4-9-18(16)20/h3-4,6-9,12H,2,5,10-11H2,1H3
InChIKeyQESLUKPPFNWUBY-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of 7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 20642739) is 7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for 7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for 7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is CCCC1c2cccc(F)c2CCc2c(F)cccc21.
What is the InChIKey of 7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is QESLUKPPFNWUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2/c1-2-5-12-13-6-3-8-17(19)15(13)10-11-16-14(12)7-4-9-18(16)20/h3-4,6-9,12H,2,5,10-11H2,1H3.
What are the key properties of 7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 272.34 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 20642739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).