3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride

C8H14ClF2NO2 — CID 121483190

IUPAC3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride
SMILESCC(C[C@H]1CC(F)(F)CN1)C(=O)O.Cl
InChIInChI=1S/C8H13F2NO2.ClH/c1-5(7(12)13)2-6-3-8(9,10)4-11-6;/h5-6,11H,2-4H2,1H3,(H,12,13);1H/t5?,6-;/m0./s1
InChIKeyWMRYWMDQRKGTOB-PQAGPIFVSA-N
MW229.65 g/mol
LogP1.52
Rot. Bonds3

About 3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride

3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride (PubChem CID 121483190) has the molecular formula C8H14ClF2NO2 and a molecular weight of 229.65 g/mol. Its IUPAC name is 3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride
PubChem CID121483190
Molecular FormulaC8H14ClF2NO2
Molecular Weight229.65 g/mol
Exact Mass229.07
IUPAC Name3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride
SMILESCC(C[C@H]1CC(F)(F)CN1)C(=O)O.Cl
InChIInChI=1S/C8H13F2NO2.ClH/c1-5(7(12)13)2-6-3-8(9,10)4-11-6;/h5-6,11H,2-4H2,1H3,(H,12,13);1H/t5?,6-;/m0./s1
InChIKeyWMRYWMDQRKGTOB-PQAGPIFVSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride 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

3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid
CID 118102818
[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride
CID 74890069
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride
CID 90043742
2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
CID 176601761
2-benzyl-4,4-difluoropyrrolidine;hydrochloride
CID 115039893
4,4-difluoropyrrolidin-2-ol
CID 142198674
3-(2-fluorocyclohexyl)-2-methylpropanoic acid
CID 84732893
4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide
CID 120607725
ethyl 2-[4-[(4,4-difluoropyrrolidin-2-yl)methyl]piperazin-1-yl]acetate
CID 23511818
4,4-difluoro-2-(2-methylpropyl)piperidine
CID 84767422
(2S)-3-(4-fluorocyclohexyl)-2-methylpropanoic acid
CID 170263321

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride?
The IUPAC name of 3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride (CID 121483190) is 3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride.
What is the SMILES notation for 3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride?
The canonical SMILES for 3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride is CC(C[C@H]1CC(F)(F)CN1)C(=O)O.Cl.
What is the InChIKey of 3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride?
The InChIKey is WMRYWMDQRKGTOB-PQAGPIFVSA-N. The full InChI is InChI=1S/C8H13F2NO2.ClH/c1-5(7(12)13)2-6-3-8(9,10)4-11-6;/h5-6,11H,2-4H2,1H3,(H,12,13);1H/t5?,6-;/m0./s1.
What are the key properties of 3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride?
3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride has a molecular weight of 229.65 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid;hydrochloride is sourced from PubChem (CID 121483190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).