(4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine

C8H14FN — CID 164921927

IUPAC(4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/C1C[C@H](F)CN1C
InChIInChI=1S/C8H14FN/c1-3-4-8-5-7(9)6-10(8)2/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8?/m0/s1
InChIKeyYTQWVZHGEJOILD-OWEICEFTSA-N
MW143.20 g/mol
LogP1.60
Rot. Bonds1

About (4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine

(4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine (PubChem CID 164921927) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name(4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
PubChem CID164921927
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/C1C[C@H](F)CN1C
InChIInChI=1S/C8H14FN/c1-3-4-8-5-7(9)6-10(8)2/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8?/m0/s1
InChIKeyYTQWVZHGEJOILD-OWEICEFTSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.60
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 (4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine?
The IUPAC name of (4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine (CID 164921927) is (4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine.
What is the SMILES notation for (4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine?
The canonical SMILES for (4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine is C/C=C/C1C[C@H](F)CN1C.
What is the InChIKey of (4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine?
The InChIKey is YTQWVZHGEJOILD-OWEICEFTSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-4-8-5-7(9)6-10(8)2/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8?/m0/s1.
What are the key properties of (4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine?
(4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine has a molecular weight of 143.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine is sourced from PubChem (CID 164921927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).