3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine

C9H16FN — CID 130618302

IUPAC3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine
SMILESC=C(C)CN1CCC(C)(F)C1
InChIInChI=1S/C9H16FN/c1-8(2)6-11-5-4-9(3,10)7-11/h1,4-7H2,2-3H3
InChIKeyAHNRHSAKRMPSFN-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.00
Rot. Bonds2

About 3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine

3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine (PubChem CID 130618302) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine
PubChem CID130618302
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine
SMILESC=C(C)CN1CCC(C)(F)C1
InChIInChI=1S/C9H16FN/c1-8(2)6-11-5-4-9(3,10)7-11/h1,4-7H2,2-3H3
InChIKeyAHNRHSAKRMPSFN-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.00
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 3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine?
The IUPAC name of 3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine (CID 130618302) is 3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine is C=C(C)CN1CCC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine?
The InChIKey is AHNRHSAKRMPSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-8(2)6-11-5-4-9(3,10)7-11/h1,4-7H2,2-3H3.
What are the key properties of 3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine?
3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine is sourced from PubChem (CID 130618302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).