(2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine

C12H20FN — CID 176776178

IUPAC(2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC1=C[C@@]2(CC(C)C)C[C@@H](F)CN2C1
InChIInChI=1S/C12H20FN/c1-9(2)4-12-5-10(3)7-14(12)8-11(13)6-12/h5,9,11H,4,6-8H2,1-3H3/t11-,12+/m1/s1
InChIKeyYIHFUHBXRVJMJY-NEPJUHHUSA-N
MW197.30 g/mol
LogP2.78
Rot. Bonds2

About (2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine

(2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine (PubChem CID 176776178) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name(2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
PubChem CID176776178
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC1=C[C@@]2(CC(C)C)C[C@@H](F)CN2C1
InChIInChI=1S/C12H20FN/c1-9(2)4-12-5-10(3)7-14(12)8-11(13)6-12/h5,9,11H,4,6-8H2,1-3H3/t11-,12+/m1/s1
InChIKeyYIHFUHBXRVJMJY-NEPJUHHUSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of (2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine (CID 176776178) is (2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for (2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for (2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine is CC1=C[C@@]2(CC(C)C)C[C@@H](F)CN2C1.
What is the InChIKey of (2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is YIHFUHBXRVJMJY-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H20FN/c1-9(2)4-12-5-10(3)7-14(12)8-11(13)6-12/h5,9,11H,4,6-8H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine?
(2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 197.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 176776178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).