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

C10H18FNO — CID 170376409

IUPAC[(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
SMILESOC[C@@]12CCCCN1[C@H](CF)CC2
InChIInChI=1S/C10H18FNO/c11-7-9-3-5-10(8-13)4-1-2-6-12(9)10/h9,13H,1-8H2/t9-,10-/m0/s1
InChIKeyWFLSKTUXDXQGBA-UWVGGRQHSA-N
MW187.26 g/mol
LogP1.34
Rot. Bonds2

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

[(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol (PubChem CID 170376409) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is [(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol.

Molecular Properties

Compound Name[(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
PubChem CID170376409
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name[(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
SMILESOC[C@@]12CCCCN1[C@H](CF)CC2
InChIInChI=1S/C10H18FNO/c11-7-9-3-5-10(8-13)4-1-2-6-12(9)10/h9,13H,1-8H2/t9-,10-/m0/s1
InChIKeyWFLSKTUXDXQGBA-UWVGGRQHSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(+)-Tashiromine
CID 11019091
(-)-Tashiromine
CID 11051891
(Octahydroindolizin-8a-yl)methanol
CID 117272748
[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11116286
[8-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol
CID 141001386
((2R,8aS)-2-Fluorooctahydroindolizin-8a-yl)methanol
CID 163323427
2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 167161624
(7,7-difluorospiro[3,5,6,8-tetrahydro-1H-indolizine-2,1'-cyclopropane]-8a-yl)methanol
CID 169193084
(6,6-difluorospiro[3,5,7,8-tetrahydro-1H-indolizine-2,1'-cyclopropane]-8a-yl)methanol
CID 169193089
[(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol
CID 170357262
((3S,8AS)-7,7-difluorooctahydroindolizin-3-yl)methanol
CID 171769656
[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 175977713

Frequently Asked Questions

What is the IUPAC name of [(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol?
The IUPAC name of [(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol (CID 170376409) is [(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol.
What is the SMILES notation for [(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol?
The canonical SMILES for [(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol is OC[C@@]12CCCCN1[C@H](CF)CC2.
What is the InChIKey of [(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol?
The InChIKey is WFLSKTUXDXQGBA-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18FNO/c11-7-9-3-5-10(8-13)4-1-2-6-12(9)10/h9,13H,1-8H2/t9-,10-/m0/s1.
What are the key properties of [(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol?
[(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol has a molecular weight of 187.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol is sourced from PubChem (CID 170376409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).