tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate

C11H19F3N2O2 — CID 22867703

IUPACtert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CNC[C@@H]1C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-7-4-15-6-8(7)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m1/s1
InChIKeyGWYXCNXINAWWBV-SFYZADRCSA-N
MW268.28 g/mol
LogP1.91
Rot. Bonds2

About tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate

tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate (PubChem CID 22867703) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate
PubChem CID22867703
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nametert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CNC[C@@H]1C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-7-4-15-6-8(7)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m1/s1
InChIKeyGWYXCNXINAWWBV-SFYZADRCSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate (CID 22867703) is tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CNC[C@@H]1C(F)(F)F.
What is the InChIKey of tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is GWYXCNXINAWWBV-SFYZADRCSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-7-4-15-6-8(7)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m1/s1.
What are the key properties of tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate?
tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 268.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 22867703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).