[3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

C9H16FNO — CID 154644059

IUPAC[3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESOCC12CCCN1C(CF)CC2
InChIInChI=1S/C9H16FNO/c10-6-8-2-4-9(7-12)3-1-5-11(8)9/h8,12H,1-7H2
InChIKeyRAAKKCBHESAZCE-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.95
Rot. Bonds2

About [3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

[3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (PubChem CID 154644059) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is [3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
PubChem CID154644059
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name[3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESOCC12CCCN1C(CF)CC2
InChIInChI=1S/C9H16FNO/c10-6-8-2-4-9(7-12)3-1-5-11(8)9/h8,12H,1-7H2
InChIKeyRAAKKCBHESAZCE-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The IUPAC name of [3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (CID 154644059) is [3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is OCC12CCCN1C(CF)CC2.
What is the InChIKey of [3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The InChIKey is RAAKKCBHESAZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-6-8-2-4-9(7-12)3-1-5-11(8)9/h8,12H,1-7H2.
What are the key properties of [3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
[3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol has a molecular weight of 173.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 154644059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).