N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide

C10H16F3N3O — CID 71935174

IUPACN-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1)N1CCC1
InChIInChI=1S/C10H16F3N3O/c11-10(12,13)7-15-5-2-8(6-15)14-9(17)16-3-1-4-16/h8H,1-7H2,(H,14,17)
InChIKeyIOKTZUIIJPZPOG-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.04
Rot. Bonds2

About N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide

N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide (PubChem CID 71935174) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide
PubChem CID71935174
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1)N1CCC1
InChIInChI=1S/C10H16F3N3O/c11-10(12,13)7-15-5-2-8(6-15)14-9(17)16-3-1-4-16/h8H,1-7H2,(H,14,17)
InChIKeyIOKTZUIIJPZPOG-UHFFFAOYSA-N
XLogP1.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide (CID 71935174) is N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide is O=C(NC1CCN(CC(F)(F)F)C1)N1CCC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide?
The InChIKey is IOKTZUIIJPZPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c11-10(12,13)7-15-5-2-8(6-15)14-9(17)16-3-1-4-16/h8H,1-7H2,(H,14,17).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide?
N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide has a molecular weight of 251.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 71935174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).