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

C6H9ClF3NO2 — CID 47002768

IUPAC3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H8F3NO2.ClH/c7-6(8,9)5(4(11)12)1-2-10-3-5;/h10H,1-3H2,(H,11,12);1H
InChIKeyVVFTWUPZMBRHLD-UHFFFAOYSA-N
MW219.59 g/mol
LogP1.03
Rot. Bonds1

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

3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 47002768) has the molecular formula C6H9ClF3NO2 and a molecular weight of 219.59 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID47002768
Molecular FormulaC6H9ClF3NO2
Molecular Weight219.59 g/mol
Exact Mass219.03
IUPAC Name3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H8F3NO2.ClH/c7-6(8,9)5(4(11)12)1-2-10-3-5;/h10H,1-3H2,(H,11,12);1H
InChIKeyVVFTWUPZMBRHLD-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-Pyrrolidinecarboxylic acid
CID 3034645
(3R)-3-Pyrrolidinecarboxylic acid
CID 1501970
4,4-Dimethyl-pyrrolidine-3-carboxylic acid
CID 5103410
(3R)-pyrrolidine-3-carboxylic acid hydrochloride
CID 43810916
Pyrrolidine-3-carboxylic acid hydrochloride
CID 44890816
3-(Trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 45026867
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

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 47002768) is 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is VVFTWUPZMBRHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2.ClH/c7-6(8,9)5(4(11)12)1-2-10-3-5;/h10H,1-3H2,(H,11,12);1H.
What are the key properties of 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
3-(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 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 47002768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).