N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide

C10H17FN2O2 — CID 132970405

IUPACN-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide
SMILESCCOC1CC(NC(=O)N2CC(F)C2)C1
InChIInChI=1S/C10H17FN2O2/c1-2-15-9-3-8(4-9)12-10(14)13-5-7(11)6-13/h7-9H,2-6H2,1H3,(H,12,14)
InChIKeyNCESOTXIMQGNLN-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.92
Rot. Bonds3

About N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide

N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide (PubChem CID 132970405) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide
PubChem CID132970405
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC NameN-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide
SMILESCCOC1CC(NC(=O)N2CC(F)C2)C1
InChIInChI=1S/C10H17FN2O2/c1-2-15-9-3-8(4-9)12-10(14)13-5-7(11)6-13/h7-9H,2-6H2,1H3,(H,12,14)
InChIKeyNCESOTXIMQGNLN-UHFFFAOYSA-N
XLogP0.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide?
The IUPAC name of N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide (CID 132970405) is N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide?
The canonical SMILES for N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide is CCOC1CC(NC(=O)N2CC(F)C2)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide?
The InChIKey is NCESOTXIMQGNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c1-2-15-9-3-8(4-9)12-10(14)13-5-7(11)6-13/h7-9H,2-6H2,1H3,(H,12,14).
What are the key properties of N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide?
N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide has a molecular weight of 216.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-3-fluoroazetidine-1-carboxamide is sourced from PubChem (CID 132970405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).