[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate

C11H16F3NO3 — CID 130184858

IUPAC[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate
SMILESCC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)C[C@H]1OC=O
InChIInChI=1S/C11H16F3NO3/c1-10(2,3)9(17)15-5-7(11(12,13)14)4-8(15)18-6-16/h6-8H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyLYOYKWNUWNNJFU-JGVFFNPUSA-N
MW267.25 g/mol
LogP1.94
Rot. Bonds2

About [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate

[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate (PubChem CID 130184858) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate.

Molecular Properties

Compound Name[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate
PubChem CID130184858
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate
SMILESCC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)C[C@H]1OC=O
InChIInChI=1S/C11H16F3NO3/c1-10(2,3)9(17)15-5-7(11(12,13)14)4-8(15)18-6-16/h6-8H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyLYOYKWNUWNNJFU-JGVFFNPUSA-N
XLogP1.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate?
The IUPAC name of [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate (CID 130184858) is [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate.
What is the SMILES notation for [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate?
The canonical SMILES for [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate is CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)C[C@H]1OC=O.
What is the InChIKey of [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate?
The InChIKey is LYOYKWNUWNNJFU-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-10(2,3)9(17)15-5-7(11(12,13)14)4-8(15)18-6-16/h6-8H,4-5H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate?
[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate has a molecular weight of 267.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate is sourced from PubChem (CID 130184858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).