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

C9H15F2NO — CID 170357262

IUPAC[(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol
SMILESOC[C@@H]1CCC2CC(F)(F)CCN21
InChIInChI=1S/C9H15F2NO/c10-9(11)3-4-12-7(5-9)1-2-8(12)6-13/h7-8,13H,1-6H2/t7?,8-/m0/s1
InChIKeyACULXHCYEVOGLG-MQWKRIRWSA-N
MW191.22 g/mol
LogP1.24
Rot. Bonds1

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

[(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol (PubChem CID 170357262) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is [(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol
PubChem CID170357262
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name[(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol
SMILESOC[C@@H]1CCC2CC(F)(F)CCN21
InChIInChI=1S/C9H15F2NO/c10-9(11)3-4-12-7(5-9)1-2-8(12)6-13/h7-8,13H,1-6H2/t7?,8-/m0/s1
InChIKeyACULXHCYEVOGLG-MQWKRIRWSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol?
The IUPAC name of [(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol (CID 170357262) is [(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol.
What is the SMILES notation for [(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol?
The canonical SMILES for [(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol is OC[C@@H]1CCC2CC(F)(F)CCN21.
What is the InChIKey of [(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol?
The InChIKey is ACULXHCYEVOGLG-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)3-4-12-7(5-9)1-2-8(12)6-13/h7-8,13H,1-6H2/t7?,8-/m0/s1.
What are the key properties of [(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol?
[(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol has a molecular weight of 191.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-7,7-difluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-3-yl]methanol is sourced from PubChem (CID 170357262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).