1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol

C9H16FNO — CID 166452560

IUPAC1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol
SMILESCC(O)[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C9H16FNO/c1-7(12)9-3-2-4-11(9)6-8(10)5-9/h7-8,12H,2-6H2,1H3/t7?,8-,9+/m1/s1
InChIKeySMDUUYZLHWKRBH-ASODMVGOSA-N
MW173.23 g/mol
LogP0.94
Rot. Bonds1

About 1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol

1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol (PubChem CID 166452560) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol.

Molecular Properties

Compound Name1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol
PubChem CID166452560
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol
SMILESCC(O)[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C9H16FNO/c1-7(12)9-3-2-4-11(9)6-8(10)5-9/h7-8,12H,2-6H2,1H3/t7?,8-,9+/m1/s1
InChIKeySMDUUYZLHWKRBH-ASODMVGOSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol?
The IUPAC name of 1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol (CID 166452560) is 1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol.
What is the SMILES notation for 1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol?
The canonical SMILES for 1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol is CC(O)[C@@]12CCCN1C[C@H](F)C2.
What is the InChIKey of 1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol?
The InChIKey is SMDUUYZLHWKRBH-ASODMVGOSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(12)9-3-2-4-11(9)6-8(10)5-9/h7-8,12H,2-6H2,1H3/t7?,8-,9+/m1/s1.
What are the key properties of 1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol?
1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol has a molecular weight of 173.23 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethanol is sourced from PubChem (CID 166452560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).