2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid

C10H16F3NO3 — CID 68963422

IUPAC2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C1N(C(=O)O)CCC1(O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-8(2,3)6-9(17,10(11,12)13)4-5-14(6)7(15)16/h6,17H,4-5H2,1-3H3,(H,15,16)
InChIKeyGQODEBVXSQAOCP-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.08
Rot. Bonds

About 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid

2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid (PubChem CID 68963422) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
PubChem CID68963422
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C1N(C(=O)O)CCC1(O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-8(2,3)6-9(17,10(11,12)13)4-5-14(6)7(15)16/h6,17H,4-5H2,1-3H3,(H,15,16)
InChIKeyGQODEBVXSQAOCP-UHFFFAOYSA-N
XLogP2.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid (CID 68963422) is 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid is CC(C)(C)C1N(C(=O)O)CCC1(O)C(F)(F)F.
What is the InChIKey of 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is GQODEBVXSQAOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-8(2,3)6-9(17,10(11,12)13)4-5-14(6)7(15)16/h6,17H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 255.24 g/mol, XLogP of 2.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68963422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).