1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C8H12F3NO3 — CID 63708729

IUPAC1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(CCO)C1
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)7(6(14)15)1-2-12(5-7)3-4-13/h13H,1-5H2,(H,14,15)
InChIKeyQZFWSMVIQRTSRX-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.32
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708729) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708729
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(CCO)C1
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)7(6(14)15)1-2-12(5-7)3-4-13/h13H,1-5H2,(H,14,15)
InChIKeyQZFWSMVIQRTSRX-UHFFFAOYSA-N
XLogP0.32
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227256
1-(3-methylbut-3-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114473180
1-[(3,5-difluorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 105404636
1-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65213674
1-[2-(3-methylbutoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708394
1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709629
1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227073
(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129321905
1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 83094521
1-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710730
1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709828
1-[(1-propylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 103573389

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708729) is 1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(C(F)(F)F)CCN(CCO)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QZFWSMVIQRTSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c9-8(10,11)7(6(14)15)1-2-12(5-7)3-4-13/h13H,1-5H2,(H,14,15).
What are the key properties of 1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 227.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).