4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene

C17H15F — CID 135038311

IUPAC4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene
SMILESCc1cc2c(c3cc(F)ccc13)C1CCCC1=C2
InChIInChI=1S/C17H15F/c1-10-7-12-8-11-3-2-4-15(11)17(12)16-9-13(18)5-6-14(10)16/h5-9,15H,2-4H2,1H3
InChIKeyXPTADABHIFFQGY-UHFFFAOYSA-N
MW238.31 g/mol
LogP4.95
Rot. Bonds

About 4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene

4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene (PubChem CID 135038311) has the molecular formula C17H15F and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene.

Molecular Properties

Compound Name4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene
PubChem CID135038311
Molecular FormulaC17H15F
Molecular Weight238.31 g/mol
Exact Mass238.12
IUPAC Name4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene
SMILESCc1cc2c(c3cc(F)ccc13)C1CCCC1=C2
InChIInChI=1S/C17H15F/c1-10-7-12-8-11-3-2-4-15(11)17(12)16-9-13(18)5-6-14(10)16/h5-9,15H,2-4H2,1H3
InChIKeyXPTADABHIFFQGY-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene with MolForge

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Related Compounds

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ethyl 6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene?
The IUPAC name of 4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene (CID 135038311) is 4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene.
What is the SMILES notation for 4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene?
The canonical SMILES for 4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene is Cc1cc2c(c3cc(F)ccc13)C1CCCC1=C2.
What is the InChIKey of 4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene?
The InChIKey is XPTADABHIFFQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F/c1-10-7-12-8-11-3-2-4-15(11)17(12)16-9-13(18)5-6-14(10)16/h5-9,15H,2-4H2,1H3.
What are the key properties of 4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene?
4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene has a molecular weight of 238.31 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene is sourced from PubChem (CID 135038311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).