3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide

C14H23F3N2O2 — CID 102777591

IUPAC3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O2/c1-9-5-6-18-12(9)13(20)19-10-3-2-4-11(7-10)21-8-14(15,16)17/h9-12,18H,2-8H2,1H3,(H,19,20)
InChIKeyQNZYNTXGYYPBTF-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.99
Rot. Bonds4

About 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide

3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 102777591) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID102777591
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O2/c1-9-5-6-18-12(9)13(20)19-10-3-2-4-11(7-10)21-8-14(15,16)17/h9-12,18H,2-8H2,1H3,(H,19,20)
InChIKeyQNZYNTXGYYPBTF-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide (CID 102777591) is 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide is CC1CCNC1C(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is QNZYNTXGYYPBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-9-5-6-18-12(9)13(20)19-10-3-2-4-11(7-10)21-8-14(15,16)17/h9-12,18H,2-8H2,1H3,(H,19,20).
What are the key properties of 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide?
3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102777591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).