(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine

C9H17F2N — CID 135201778

IUPAC(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC[C@H]1C(C)(F)F
InChIInChI=1S/C9H17F2N/c1-7(2)12-6-4-5-8(12)9(3,10)11/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyOZYRHQZLKWCDKQ-QMMMGPOBSA-N
MW177.24 g/mol
LogP2.51
Rot. Bonds2

About (2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine

(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine (PubChem CID 135201778) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is (2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine
PubChem CID135201778
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC[C@H]1C(C)(F)F
InChIInChI=1S/C9H17F2N/c1-7(2)12-6-4-5-8(12)9(3,10)11/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyOZYRHQZLKWCDKQ-QMMMGPOBSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-2-(1,1-difluoroethyl)-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

Related Compounds

2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol
CID 72560293
(2R)-2-tert-butyl-1-propan-2-ylpiperidine
CID 171587843
(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine
CID 146615150
3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine
CID 166471018
4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine
CID 163750936
1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
CID 164706311
2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine
CID 123663802
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
2-methoxy-1-propan-2-ylpyrrolidine
CID 59556509
1-propan-2-yl-2-(trifluoromethyl)aziridine
CID 166046410

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of (2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine (CID 135201778) is (2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine is CC(C)N1CCC[C@H]1C(C)(F)F.
What is the InChIKey of (2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is OZYRHQZLKWCDKQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)12-6-4-5-8(12)9(3,10)11/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine?
(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 177.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 135201778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).