[(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate

C14H23F3N2O2 — CID 175578159

IUPAC[(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H]1CCN(CC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2O2/c1-12(2,3)18-11(20)21-10-4-7-19(8-10)9-13(5-6-13)14(15,16)17/h10H,4-9H2,1-3H3,(H,18,20)/t10-/m1/s1
InChIKeyUEGJSVNAYNXWEO-SNVBAGLBSA-N
MW308.34 g/mol
LogP2.93
Rot. Bonds3

About [(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate

[(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate (PubChem CID 175578159) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is [(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate
PubChem CID175578159
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name[(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H]1CCN(CC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2O2/c1-12(2,3)18-11(20)21-10-4-7-19(8-10)9-13(5-6-13)14(15,16)17/h10H,4-9H2,1-3H3,(H,18,20)/t10-/m1/s1
InChIKeyUEGJSVNAYNXWEO-SNVBAGLBSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate?
The IUPAC name of [(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate (CID 175578159) is [(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate?
The canonical SMILES for [(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@@H]1CCN(CC2(C(F)(F)F)CC2)C1.
What is the InChIKey of [(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate?
The InChIKey is UEGJSVNAYNXWEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-12(2,3)18-11(20)21-10-4-7-19(8-10)9-13(5-6-13)14(15,16)17/h10H,4-9H2,1-3H3,(H,18,20)/t10-/m1/s1.
What are the key properties of [(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate?
[(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate has a molecular weight of 308.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175578159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).