2-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C6H8F3NO2 — CID 67983317

IUPAC2-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCNC1C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)4-3(5(11)12)1-2-10-4/h3-4,10H,1-2H2,(H,11,12)
InChIKeyZNSRLKAYJUJFGW-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.61
Rot. Bonds1

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

2-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 67983317) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID67983317
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name2-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCNC1C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)4-3(5(11)12)1-2-10-4/h3-4,10H,1-2H2,(H,11,12)
InChIKeyZNSRLKAYJUJFGW-UHFFFAOYSA-N
XLogP0.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.61
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
3-Fluoropyrrolidine-3-carboxylic acid
CID 55300604
rac-(3R,4R)-4-(difluoromethyl)pyrrolidine-3-carboxylic acid
CID 54595330
4,4-Difluoropyrrolidine-3-carboxylic acid hydrochloride
CID 84719098
3-(Difluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 119056923
5-(Trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 145913529
2-(Trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 146026754
3-(2-Fluoroethyl)pyrrolidine-3-carboxylic acid; trifluoroacetic acid
CID 154577320
rac-(3R,4R)-4-fluoropyrrolidine-3-carboxylicacidhydrochloride,trans
CID 165809708
4,4-Difluoropyrrolidine-3-carboxylic acid
CID 83479519

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 67983317) is 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCNC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZNSRLKAYJUJFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)4-3(5(11)12)1-2-10-4/h3-4,10H,1-2H2,(H,11,12).
What are the key properties of 2-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
2-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 183.13 g/mol, XLogP of 0.61, 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 is sourced from PubChem (CID 67983317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).