propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate

C10H16F3NO2 — CID 177326757

IUPACpropan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C)(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-7(2)16-8(15)14-5-4-9(3,6-14)10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyIBLCBWSFCWAWDX-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.81
Rot. Bonds1

About propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate

propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate (PubChem CID 177326757) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate
PubChem CID177326757
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Namepropan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C)(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-7(2)16-8(15)14-5-4-9(3,6-14)10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyIBLCBWSFCWAWDX-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate (CID 177326757) is propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate is CC(C)OC(=O)N1CCC(C)(C(F)(F)F)C1.
What is the InChIKey of propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate?
The InChIKey is IBLCBWSFCWAWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7(2)16-8(15)14-5-4-9(3,6-14)10(11,12)13/h7H,4-6H2,1-3H3.
What are the key properties of propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate?
propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate has a molecular weight of 239.24 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 177326757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).