N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide

C8H15FN2O — CID 130891875

IUPACN-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide
SMILESCCN(C)C(=O)N1CC(C)(F)C1
InChIInChI=1S/C8H15FN2O/c1-4-10(3)7(12)11-5-8(2,9)6-11/h4-6H2,1-3H3
InChIKeyNFTZJUXIRNOKRD-UHFFFAOYSA-N
MW174.22 g/mol
LogP1.10
Rot. Bonds1

About N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide

N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide (PubChem CID 130891875) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide
PubChem CID130891875
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC NameN-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide
SMILESCCN(C)C(=O)N1CC(C)(F)C1
InChIInChI=1S/C8H15FN2O/c1-4-10(3)7(12)11-5-8(2,9)6-11/h4-6H2,1-3H3
InChIKeyNFTZJUXIRNOKRD-UHFFFAOYSA-N
XLogP1.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide?
The IUPAC name of N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide (CID 130891875) is N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide is CCN(C)C(=O)N1CC(C)(F)C1.
What is the InChIKey of N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide?
The InChIKey is NFTZJUXIRNOKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-4-10(3)7(12)11-5-8(2,9)6-11/h4-6H2,1-3H3.
What are the key properties of N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide?
N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide has a molecular weight of 174.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N,3-dimethylazetidine-1-carboxamide is sourced from PubChem (CID 130891875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).