(2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine

C8H13FN2 — CID 176768906

IUPAC(2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine
SMILES[C-]#[N+][C@@H]1CC(F)CN1C(C)C
InChIInChI=1S/C8H13FN2/c1-6(2)11-5-7(9)4-8(11)10-3/h6-8H,4-5H2,1-2H3/t7?,8-/m0/s1
InChIKeyGZVVULRFGNEHII-MQWKRIRWSA-N
MW156.20 g/mol
LogP1.68
Rot. Bonds1

About (2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine

(2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine (PubChem CID 176768906) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is (2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine
PubChem CID176768906
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name(2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine
SMILES[C-]#[N+][C@@H]1CC(F)CN1C(C)C
InChIInChI=1S/C8H13FN2/c1-6(2)11-5-7(9)4-8(11)10-3/h6-8H,4-5H2,1-2H3/t7?,8-/m0/s1
InChIKeyGZVVULRFGNEHII-MQWKRIRWSA-N
XLogP1.68
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine 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 (2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine?
The IUPAC name of (2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine (CID 176768906) is (2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine is [C-]#[N+][C@@H]1CC(F)CN1C(C)C.
What is the InChIKey of (2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine?
The InChIKey is GZVVULRFGNEHII-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H13FN2/c1-6(2)11-5-7(9)4-8(11)10-3/h6-8H,4-5H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine?
(2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine has a molecular weight of 156.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-fluoro-2-isocyano-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 176768906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).