8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene

C13H17F — CID 174163203

IUPAC8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene
SMILESCC1C2=C(CCC2)C(F)=C2CCCC21
InChIInChI=1S/C13H17F/c1-8-9-4-2-6-11(9)13(14)12-7-3-5-10(8)12/h8-9H,2-7H2,1H3
InChIKeyNCQLEOHHEGWICT-UHFFFAOYSA-N
MW192.28 g/mol
LogP4.14
Rot. Bonds

About 8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene

8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene (PubChem CID 174163203) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is 8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene.

Molecular Properties

Compound Name8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene
PubChem CID174163203
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Name8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene
SMILESCC1C2=C(CCC2)C(F)=C2CCCC21
InChIInChI=1S/C13H17F/c1-8-9-4-2-6-11(9)13(14)12-7-3-5-10(8)12/h8-9H,2-7H2,1H3
InChIKeyNCQLEOHHEGWICT-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene?
The IUPAC name of 8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene (CID 174163203) is 8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene.
What is the SMILES notation for 8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene?
The canonical SMILES for 8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene is CC1C2=C(CCC2)C(F)=C2CCCC21.
What is the InChIKey of 8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene?
The InChIKey is NCQLEOHHEGWICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F/c1-8-9-4-2-6-11(9)13(14)12-7-3-5-10(8)12/h8-9H,2-7H2,1H3.
What are the key properties of 8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene?
8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene has a molecular weight of 192.28 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene is sourced from PubChem (CID 174163203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).