(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine

C10H20FN — CID 58578233

IUPAC(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1C[C@H](F)CN1C(C)C
InChIInChI=1S/C10H20FN/c1-7(2)10-5-9(11)6-12(10)8(3)4/h7-10H,5-6H2,1-4H3/t9-,10?/m0/s1
InChIKeyCJHRDUTVDUDQTB-RGURZIINSA-N
MW173.27 g/mol
LogP2.46
Rot. Bonds2

About (4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine

(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 58578233) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine
PubChem CID58578233
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1C[C@H](F)CN1C(C)C
InChIInChI=1S/C10H20FN/c1-7(2)10-5-9(11)6-12(10)8(3)4/h7-10H,5-6H2,1-4H3/t9-,10?/m0/s1
InChIKeyCJHRDUTVDUDQTB-RGURZIINSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S)-4-fluoro-1,2-di(propan-2-yl)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 (4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of (4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine (CID 58578233) is (4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine is CC(C)C1C[C@H](F)CN1C(C)C.
What is the InChIKey of (4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is CJHRDUTVDUDQTB-RGURZIINSA-N. The full InChI is InChI=1S/C10H20FN/c1-7(2)10-5-9(11)6-12(10)8(3)4/h7-10H,5-6H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of (4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine?
(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 173.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58578233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).