2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate

C11H18F3NO3 — CID 63710529

IUPAC2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
SMILESCC(C)OCCOC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H18F3NO3/c1-8(2)17-5-6-18-9(16)10(11(12,13)14)3-4-15-7-10/h8,15H,3-7H2,1-2H3
InChIKeyUTKYDKXFMMYDRN-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.50
Rot. Bonds5

About 2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate

2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate (PubChem CID 63710529) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
PubChem CID63710529
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
SMILESCC(C)OCCOC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H18F3NO3/c1-8(2)17-5-6-18-9(16)10(11(12,13)14)3-4-15-7-10/h8,15H,3-7H2,1-2H3
InChIKeyUTKYDKXFMMYDRN-UHFFFAOYSA-N
XLogP1.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 63708179
N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64605661
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710773
thiophen-2-ylmethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 55227065
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82945350
N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113376269
N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710060
2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate
CID 106983595
N-ethyl-N-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227468
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate?
The IUPAC name of 2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate (CID 63710529) is 2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for 2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for 2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate is CC(C)OCCOC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate?
The InChIKey is UTKYDKXFMMYDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-8(2)17-5-6-18-9(16)10(11(12,13)14)3-4-15-7-10/h8,15H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate?
2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 63710529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).