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

C10H17FO — CID 162736806

IUPAC2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESCOCC12CCCC1CC(F)C2
InChIInChI=1S/C10H17FO/c1-12-7-10-4-2-3-8(10)5-9(11)6-10/h8-9H,2-7H2,1H3
InChIKeyGFIBQMVVWRMQQJ-UHFFFAOYSA-N
MW172.24 g/mol
LogP2.55
Rot. Bonds2

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

2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene (PubChem CID 162736806) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene.

Molecular Properties

Compound Name2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene
PubChem CID162736806
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESCOCC12CCCC1CC(F)C2
InChIInChI=1S/C10H17FO/c1-12-7-10-4-2-3-8(10)5-9(11)6-10/h8-9H,2-7H2,1H3
InChIKeyGFIBQMVVWRMQQJ-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 138627533
5-tert-butyl-5-fluoro-2-pentan-2-yloxy-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 139315657
(1S,2S,3S)-3-fluoro-1-(methoxymethyl)-2,5-dimethylbicyclo[4.2.1]nonane
CID 168880836
(1R,2S,3S)-3-fluoro-1-(methoxymethyl)-2,5-dimethylbicyclo[4.2.1]nonane
CID 168881521
(2S,6aR)-2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene
CID 169992901
[(2S,3aR)-2-fluoro-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]methyl hypoiodite
CID 169992944
[(2S,3aR)-2-fluoro-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]methanol
CID 170679550
1-(2-Fluorobutyl)-1-(methoxymethyl)-2-methylcyclopentane
CID 172247135
3a-Ethyl-2-fluoro-6a-(propan-2-yloxymethyl)-1,2,3,4,5,6-hexahydropentalene
CID 175636542
3a-ethyl-5,5-difluoro-6a-(propan-2-yloxymethyl)-2,3,4,6-tetrahydro-1H-pentalene
CID 175636543
2-Fluoro-3a-methyl-6a-(propan-2-yloxymethyl)-1,2,3,4,5,6-hexahydropentalene
CID 175636544
5,5-difluoro-3a-methyl-6a-(propan-2-yloxymethyl)-2,3,4,6-tetrahydro-1H-pentalene
CID 175636545

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The IUPAC name of 2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene (CID 162736806) is 2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene.
What is the SMILES notation for 2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The canonical SMILES for 2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene is COCC12CCCC1CC(F)C2.
What is the InChIKey of 2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The InChIKey is GFIBQMVVWRMQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c1-12-7-10-4-2-3-8(10)5-9(11)6-10/h8-9H,2-7H2,1H3.
What are the key properties of 2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene?
2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene has a molecular weight of 172.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene is sourced from PubChem (CID 162736806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).