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

C9H15F — CID 170095403

IUPAC(2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESC[C@@]12CCCC1C[C@@H](F)C2
InChIInChI=1S/C9H15F/c1-9-4-2-3-7(9)5-8(10)6-9/h7-8H,2-6H2,1H3/t7?,8-,9+/m1/s1
InChIKeyKMCKHXNKTXOOLH-ASODMVGOSA-N
MW142.22 g/mol
LogP2.92
Rot. Bonds

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

(2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene (PubChem CID 170095403) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is (2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene.

Molecular Properties

Compound Name(2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
PubChem CID170095403
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name(2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESC[C@@]12CCCC1C[C@@H](F)C2
InChIInChI=1S/C9H15F/c1-9-4-2-3-7(9)5-8(10)6-9/h7-8H,2-6H2,1H3/t7?,8-,9+/m1/s1
InChIKeyKMCKHXNKTXOOLH-ASODMVGOSA-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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Related Compounds

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3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene
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(3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
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Frequently Asked Questions

What is the IUPAC name of (2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The IUPAC name of (2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene (CID 170095403) is (2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene.
What is the SMILES notation for (2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The canonical SMILES for (2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene is C[C@@]12CCCC1C[C@@H](F)C2.
What is the InChIKey of (2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The InChIKey is KMCKHXNKTXOOLH-ASODMVGOSA-N. The full InChI is InChI=1S/C9H15F/c1-9-4-2-3-7(9)5-8(10)6-9/h7-8H,2-6H2,1H3/t7?,8-,9+/m1/s1.
What are the key properties of (2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
(2R,6aS)-2-fluoro-6a-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 (2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene is sourced from PubChem (CID 170095403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).