(3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene

C9H15F — CID 144922740

IUPAC(3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESCC1C[C@@H]2CCC[C@]2(F)C1
InChIInChI=1S/C9H15F/c1-7-5-8-3-2-4-9(8,10)6-7/h7-8H,2-6H2,1H3/t7?,8-,9-/m0/s1
InChIKeyBOWYLWSNFIWION-NPPUSCPJSA-N
MW142.22 g/mol
LogP2.92
Rot. Bonds

About (3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene

(3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene (PubChem CID 144922740) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is (3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene.

Molecular Properties

Compound Name(3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
PubChem CID144922740
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name(3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESCC1C[C@@H]2CCC[C@]2(F)C1
InChIInChI=1S/C9H15F/c1-7-5-8-3-2-4-9(8,10)6-7/h7-8H,2-6H2,1H3/t7?,8-,9-/m0/s1
InChIKeyBOWYLWSNFIWION-NPPUSCPJSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The IUPAC name of (3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene (CID 144922740) is (3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene.
What is the SMILES notation for (3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The canonical SMILES for (3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene is CC1C[C@@H]2CCC[C@]2(F)C1.
What is the InChIKey of (3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The InChIKey is BOWYLWSNFIWION-NPPUSCPJSA-N. The full InChI is InChI=1S/C9H15F/c1-7-5-8-3-2-4-9(8,10)6-7/h7-8H,2-6H2,1H3/t7?,8-,9-/m0/s1.
What are the key properties of (3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
(3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene has a molecular weight of 142.22 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene is sourced from PubChem (CID 144922740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).