(3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine

C10H18FN — CID 177368001

IUPAC(3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine
SMILESC=C[C@]1(F)CCN(CC(C)C)C1
InChIInChI=1S/C10H18FN/c1-4-10(11)5-6-12(8-10)7-9(2)3/h4,9H,1,5-8H2,2-3H3/t10-/m0/s1
InChIKeyMKPLPHQERJTCDQ-JTQLQIEISA-N
MW171.26 g/mol
LogP2.24
Rot. Bonds3

About (3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine

(3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine (PubChem CID 177368001) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine
PubChem CID177368001
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine
SMILESC=C[C@]1(F)CCN(CC(C)C)C1
InChIInChI=1S/C10H18FN/c1-4-10(11)5-6-12(8-10)7-9(2)3/h4,9H,1,5-8H2,2-3H3/t10-/m0/s1
InChIKeyMKPLPHQERJTCDQ-JTQLQIEISA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.24
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 (3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of (3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine (CID 177368001) is (3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine is C=C[C@]1(F)CCN(CC(C)C)C1.
What is the InChIKey of (3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine?
The InChIKey is MKPLPHQERJTCDQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18FN/c1-4-10(11)5-6-12(8-10)7-9(2)3/h4,9H,1,5-8H2,2-3H3/t10-/m0/s1.
What are the key properties of (3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine?
(3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine has a molecular weight of 171.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 177368001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).