3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C12H22FNO — CID 167196323

IUPAC3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CCCN1C(CF)CC2
InChIInChI=1S/C12H22FNO/c1-10(2)15-9-12-5-3-7-14(12)11(8-13)4-6-12/h10-11H,3-9H2,1-2H3
InChIKeyNFWOKAMUIAQVPF-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.38
Rot. Bonds4

About 3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 167196323) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID167196323
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CCCN1C(CF)CC2
InChIInChI=1S/C12H22FNO/c1-10(2)15-9-12-5-3-7-14(12)11(8-13)4-6-12/h10-11H,3-9H2,1-2H3
InChIKeyNFWOKAMUIAQVPF-UHFFFAOYSA-N
XLogP2.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 167196323) is 3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)OCC12CCCN1C(CF)CC2.
What is the InChIKey of 3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is NFWOKAMUIAQVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-10(2)15-9-12-5-3-7-14(12)11(8-13)4-6-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 215.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 167196323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).