2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride

C6H9ClF3NO2 — CID 146026754

IUPAC2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCNC1C(F)(F)F
InChIInChI=1S/C6H8F3NO2.ClH/c7-6(8,9)4-3(5(11)12)1-2-10-4;/h3-4,10H,1-2H2,(H,11,12);1H
InChIKeyZYYSHVXTAQDVFC-UHFFFAOYSA-N
MW219.59 g/mol
LogP1.03
Rot. Bonds1

About 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride

2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 146026754) has the molecular formula C6H9ClF3NO2 and a molecular weight of 219.59 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID146026754
Molecular FormulaC6H9ClF3NO2
Molecular Weight219.59 g/mol
Exact Mass219.03
IUPAC Name2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCNC1C(F)(F)F
InChIInChI=1S/C6H8F3NO2.ClH/c7-6(8,9)4-3(5(11)12)1-2-10-4;/h3-4,10H,1-2H2,(H,11,12);1H
InChIKeyZYYSHVXTAQDVFC-UHFFFAOYSA-N
XLogP1.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.59
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 45026867
3-(Trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 47002768
(3S,4S)-4-(Trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 90424808
rac-(3R,4R)-4-(difluoromethyl)pyrrolidine-3-carboxylic acid
CID 54595330
4,4-Difluoropyrrolidine-3-carboxylic acid hydrochloride
CID 84719098
2-Ethylpyrrolidine-3-carboxylic acid hydrochloride
CID 119031450
3-(Difluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 119056923
5-(Trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 145913529
3-(2-Fluoroethyl)pyrrolidine-3-carboxylic acid; trifluoroacetic acid
CID 154577320
rac-(3R,4R)-4-fluoropyrrolidine-3-carboxylic acid hydrochloride
CID 165809708
4,4-Difluoropyrrolidine-3-carboxylic acid
CID 83479519
(2R,3R)-2-methylpyrrolidine-3-carboxylic Acid
CID 10887930

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 146026754) is 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCNC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is ZYYSHVXTAQDVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2.ClH/c7-6(8,9)4-3(5(11)12)1-2-10-4;/h3-4,10H,1-2H2,(H,11,12);1H.
What are the key properties of 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 219.59 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 146026754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).