4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride

C6H10ClF2NO2 — CID 155943873

IUPAC4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CNCC1(F)F.Cl
InChIInChI=1S/C6H9F2NO2.ClH/c1-5(4(10)11)2-9-3-6(5,7)8;/h9H,2-3H2,1H3,(H,10,11);1H
InChIKeyFQQRGXYDZIFUCL-UHFFFAOYSA-N
MW201.60 g/mol
LogP0.74
Rot. Bonds1

About 4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride

4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 155943873) has the molecular formula C6H10ClF2NO2 and a molecular weight of 201.60 g/mol. Its IUPAC name is 4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID155943873
Molecular FormulaC6H10ClF2NO2
Molecular Weight201.60 g/mol
Exact Mass201.04
IUPAC Name4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CNCC1(F)F.Cl
InChIInChI=1S/C6H9F2NO2.ClH/c1-5(4(10)11)2-9-3-6(5,7)8;/h9H,2-3H2,1H3,(H,10,11);1H
InChIKeyFQQRGXYDZIFUCL-UHFFFAOYSA-N
XLogP0.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.60
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-pyrrolidine-3-carboxylic acid
CID 5103410
3-(Trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 45026867
3-(Trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 47002768
4,4-Dimethylpyrrolidine-3-carboxylic acid hydrochloride
CID 56763825
(3S,4S)-4-(Trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 90424808
3-Fluoropyrrolidine-3-carboxylic acid
CID 55300604
rac-(3R,4R)-4-(difluoromethyl)pyrrolidine-3-carboxylic acid
CID 54595330
1-Methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708735
4,4-Difluoropyrrolidine-3-carboxylic acid hydrochloride
CID 84719098
3-(Difluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 119056923
3-(2-Fluoroethyl)pyrrolidine-3-carboxylic acid; trifluoroacetic acid
CID 154577320
3-(Fluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 155822684

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride (CID 155943873) is 4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride is CC1(C(=O)O)CNCC1(F)F.Cl.
What is the InChIKey of 4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is FQQRGXYDZIFUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2.ClH/c1-5(4(10)11)2-9-3-6(5,7)8;/h9H,2-3H2,1H3,(H,10,11);1H.
What are the key properties of 4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride?
4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 201.60 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 155943873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).