2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine

C9H16FN — CID 127004543

IUPAC2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine
SMILESC=C(C)CN1CCCC1CF
InChIInChI=1S/C9H16FN/c1-8(2)7-11-5-3-4-9(11)6-10/h9H,1,3-7H2,2H3
InChIKeyHJSSWNUOCMQXRC-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.00
Rot. Bonds3

About 2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine

2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine (PubChem CID 127004543) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine.

Molecular Properties

Compound Name2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine
PubChem CID127004543
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine
SMILESC=C(C)CN1CCCC1CF
InChIInChI=1S/C9H16FN/c1-8(2)7-11-5-3-4-9(11)6-10/h9H,1,3-7H2,2H3
InChIKeyHJSSWNUOCMQXRC-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine?
The IUPAC name of 2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine (CID 127004543) is 2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine.
What is the SMILES notation for 2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine?
The canonical SMILES for 2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine is C=C(C)CN1CCCC1CF.
What is the InChIKey of 2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine?
The InChIKey is HJSSWNUOCMQXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-8(2)7-11-5-3-4-9(11)6-10/h9H,1,3-7H2,2H3.
What are the key properties of 2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine?
2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-(2-methylprop-2-enyl)pyrrolidine is sourced from PubChem (CID 127004543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).