(2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine

C10H18FN — CID 174855048

IUPAC(2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine
SMILESC=C1C[C@@H](CF)N(CC(C)C)C1
InChIInChI=1S/C10H18FN/c1-8(2)6-12-7-9(3)4-10(12)5-11/h8,10H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyMIKPXTSCGKHJKM-JTQLQIEISA-N
MW171.26 g/mol
LogP2.24
Rot. Bonds3

About (2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine

(2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine (PubChem CID 174855048) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine
PubChem CID174855048
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine
SMILESC=C1C[C@@H](CF)N(CC(C)C)C1
InChIInChI=1S/C10H18FN/c1-8(2)6-12-7-9(3)4-10(12)5-11/h8,10H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyMIKPXTSCGKHJKM-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'}

Analyze (2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of (2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine (CID 174855048) is (2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine is C=C1C[C@@H](CF)N(CC(C)C)C1.
What is the InChIKey of (2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine?
The InChIKey is MIKPXTSCGKHJKM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)6-12-7-9(3)4-10(12)5-11/h8,10H,3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine?
(2S)-2-(fluoromethyl)-4-methylidene-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 (2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 174855048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).