tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate

C10H16F3NO3 — CID 50986427

IUPACtert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3/c1-8(2,3)17-7(15)14-5-4-9(16,6-14)10(11,12)13/h16H,4-6H2,1-3H3
InChIKeyLTDRQRZCMHBRKM-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.92
Rot. Bonds

About tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate

tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate (PubChem CID 50986427) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate
PubChem CID50986427
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Nametert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3/c1-8(2,3)17-7(15)14-5-4-9(16,6-14)10(11,12)13/h16H,4-6H2,1-3H3
InChIKeyLTDRQRZCMHBRKM-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate (CID 50986427) is tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate?
The InChIKey is LTDRQRZCMHBRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-8(2,3)17-7(15)14-5-4-9(16,6-14)10(11,12)13/h16H,4-6H2,1-3H3.
What are the key properties of tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate has a molecular weight of 255.24 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 50986427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).