7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene

C15H25F — CID 146513919

IUPAC7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene
SMILESCC1CCC2C3CCC(C)(C)C3C(C)(F)C12
InChIInChI=1S/C15H25F/c1-9-5-6-10-11-7-8-14(2,3)13(11)15(4,16)12(9)10/h9-13H,5-8H2,1-4H3
InChIKeyOYIGJERMAGBVAB-UHFFFAOYSA-N
MW224.36 g/mol
LogP4.44
Rot. Bonds

About 7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene

7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene (PubChem CID 146513919) has the molecular formula C15H25F and a molecular weight of 224.36 g/mol. Its IUPAC name is 7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene.

Molecular Properties

Compound Name7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene
PubChem CID146513919
Molecular FormulaC15H25F
Molecular Weight224.36 g/mol
Exact Mass224.19
IUPAC Name7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene
SMILESCC1CCC2C3CCC(C)(C)C3C(C)(F)C12
InChIInChI=1S/C15H25F/c1-9-5-6-10-11-7-8-14(2,3)13(11)15(4,16)12(9)10/h9-13H,5-8H2,1-4H3
InChIKeyOYIGJERMAGBVAB-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene?
The IUPAC name of 7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene (CID 146513919) is 7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene.
What is the SMILES notation for 7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene?
The canonical SMILES for 7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene is CC1CCC2C3CCC(C)(C)C3C(C)(F)C12.
What is the InChIKey of 7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene?
The InChIKey is OYIGJERMAGBVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F/c1-9-5-6-10-11-7-8-14(2,3)13(11)15(4,16)12(9)10/h9-13H,5-8H2,1-4H3.
What are the key properties of 7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene?
7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene has a molecular weight of 224.36 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,6,6,7-tetramethyl-2,3,3a,3b,4,5,6a,7a-octahydro-1H-cyclopenta[a]pentalene is sourced from PubChem (CID 146513919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).