[(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol

C9H14FNO — CID 170357117

IUPAC[(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol
SMILESOC[C@@H]1CCC2C=C(F)CCN21
InChIInChI=1S/C9H14FNO/c10-7-3-4-11-8(5-7)1-2-9(11)6-12/h5,8-9,12H,1-4,6H2/t8?,9-/m0/s1
InChIKeyUOTPWEHEFDKHOQ-GKAPJAKFSA-N
MW171.21 g/mol
LogP1.07
Rot. Bonds1

About [(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol

[(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol (PubChem CID 170357117) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is [(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol
PubChem CID170357117
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name[(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol
SMILESOC[C@@H]1CCC2C=C(F)CCN21
InChIInChI=1S/C9H14FNO/c10-7-3-4-11-8(5-7)1-2-9(11)6-12/h5,8-9,12H,1-4,6H2/t8?,9-/m0/s1
InChIKeyUOTPWEHEFDKHOQ-GKAPJAKFSA-N
XLogP1.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol?
The IUPAC name of [(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol (CID 170357117) is [(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol.
What is the SMILES notation for [(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol?
The canonical SMILES for [(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol is OC[C@@H]1CCC2C=C(F)CCN21.
What is the InChIKey of [(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol?
The InChIKey is UOTPWEHEFDKHOQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H14FNO/c10-7-3-4-11-8(5-7)1-2-9(11)6-12/h5,8-9,12H,1-4,6H2/t8?,9-/m0/s1.
What are the key properties of [(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol?
[(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol has a molecular weight of 171.21 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol is sourced from PubChem (CID 170357117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).