6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine

C10H16FN — CID 166984259

IUPAC6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
SMILESCC(C)C12C=C(F)CN1CCC2
InChIInChI=1S/C10H16FN/c1-8(2)10-4-3-5-12(10)7-9(11)6-10/h6,8H,3-5,7H2,1-2H3
InChIKeyTUAVWFKMOPUMTG-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.34
Rot. Bonds1

About 6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine

6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine (PubChem CID 166984259) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
PubChem CID166984259
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
SMILESCC(C)C12C=C(F)CN1CCC2
InChIInChI=1S/C10H16FN/c1-8(2)10-4-3-5-12(10)7-9(11)6-10/h6,8H,3-5,7H2,1-2H3
InChIKeyTUAVWFKMOPUMTG-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 118940548
2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine
CID 146476928
7-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163418061
7-Fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
CID 163614743
6-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163977858
2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922407
8-Ethyl-7-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984255
6-Fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine
CID 166984319
8-Ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984390
(2R,8S)-2-fluoro-8-propan-2-yl-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine
CID 172287808
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 172287810
2-Fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine
CID 172287917

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of 6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine (CID 166984259) is 6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for 6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for 6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine is CC(C)C12C=C(F)CN1CCC2.
What is the InChIKey of 6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is TUAVWFKMOPUMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-8(2)10-4-3-5-12(10)7-9(11)6-10/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine?
6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 169.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 166984259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).