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

C10H20FN — CID 58778999

IUPAC4-fluoro-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(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
InChIKeyCJHRDUTVDUDQTB-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.46
Rot. Bonds2

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

4-fluoro-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 58778999) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 4-fluoro-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name4-fluoro-1,2-di(propan-2-yl)pyrrolidine
PubChem CID58778999
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name4-fluoro-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(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
InChIKeyCJHRDUTVDUDQTB-UHFFFAOYSA-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 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

Related Compounds

Pyrrolidine, 1-ethyl-2,2,5,5-tetramethyl-
CID 3048269
Pyrrolidine, 1-propyl-2,2,5,5-tetramethyl-
CID 3048270
1-(2-Methylpentyl)pyrrolidine
CID 54370492
(2S)-1-(2,2-dimethylpropyl)-2-(fluoromethyl)pyrrolidine
CID 135037336
1-Methyl-2-(1-methylethyl)pyrrolidine
CID 264798
1-Methyl-3-propylpyrrolidine
CID 18722953
(S)-1-Isobutyl-2-methylpyrrolidine
CID 45087897
1-Methyl-4-ethyl-2-n-propylpyrrolidine
CID 57834780
1-(2-Methylhexyl)pyrrolidine
CID 72457033
1,4-Dimethyl-2-n-propyl-pyrrolidine
CID 89311502
(2R)-2-methyl-1-(2-methylpropyl)pyrrolidine
CID 117852146
3-(3-Fluoropropyl)-1-methylpyrrolidine
CID 18723118

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of 4-fluoro-1,2-di(propan-2-yl)pyrrolidine (CID 58778999) is 4-fluoro-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 4-fluoro-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 4-fluoro-1,2-di(propan-2-yl)pyrrolidine is CC(C)C1CC(F)CN1C(C)C.
What is the InChIKey of 4-fluoro-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is CJHRDUTVDUDQTB-UHFFFAOYSA-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.
What are the key properties of 4-fluoro-1,2-di(propan-2-yl)pyrrolidine?
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 4-fluoro-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58778999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).