N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H17F3N2O2 — CID 55227443

IUPACN-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(3-4-15-7-10)9(17)16-6-8-2-1-5-18-8/h8,15H,1-7H2,(H,16,17)
InChIKeyKAKHSINGPWPZQL-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.82
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227443) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227443
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(3-4-15-7-10)9(17)16-6-8-2-1-5-18-8/h8,15H,1-7H2,(H,16,17)
InChIKeyKAKHSINGPWPZQL-UHFFFAOYSA-N
XLogP0.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227443) is N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCC1CCCO1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is KAKHSINGPWPZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)10(3-4-15-7-10)9(17)16-6-8-2-1-5-18-8/h8,15H,1-7H2,(H,16,17).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).