[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol

C9H16FNO — CID 175977713

IUPAC[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
SMILESOC[C@@]12CCCN1C[C@H](F)CC2
InChIInChI=1S/C9H16FNO/c10-8-2-4-9(7-12)3-1-5-11(9)6-8/h8,12H,1-7H2/t8-,9+/m1/s1
InChIKeyWYQNPYYVJKRCQC-BDAKNGLRSA-N
MW173.23 g/mol
LogP0.95
Rot. Bonds1

About [(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol

[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol (PubChem CID 175977713) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is [(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol.

Molecular Properties

Compound Name[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
PubChem CID175977713
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
SMILESOC[C@@]12CCCN1C[C@H](F)CC2
InChIInChI=1S/C9H16FNO/c10-8-2-4-9(7-12)3-1-5-11(9)6-8/h8,12H,1-7H2/t8-,9+/m1/s1
InChIKeyWYQNPYYVJKRCQC-BDAKNGLRSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol with MolForge

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Related Compounds

[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109098
ethane;[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethanol
CID 170771438
benzene;[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;fluoromethane
CID 177213305
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane
CID 164534379
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride
CID 12691221
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109110
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
O-[[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine
CID 176690420
[1-(azepan-1-yl)cyclopentyl]methanol
CID 104549393
benzene;ethane;(8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;fluoromethane
CID 177213011
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427

Frequently Asked Questions

What is the IUPAC name of [(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol?
The IUPAC name of [(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol (CID 175977713) is [(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol.
What is the SMILES notation for [(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol?
The canonical SMILES for [(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol is OC[C@@]12CCCN1C[C@H](F)CC2.
What is the InChIKey of [(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol?
The InChIKey is WYQNPYYVJKRCQC-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16FNO/c10-8-2-4-9(7-12)3-1-5-11(9)6-8/h8,12H,1-7H2/t8-,9+/m1/s1.
What are the key properties of [(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol?
[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol has a molecular weight of 173.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol is sourced from PubChem (CID 175977713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).