3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide

C10H19FN2O — CID 126782280

IUPAC3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide
SMILESCC(C)CC(C)NC(=O)N1CC(F)C1
InChIInChI=1S/C10H19FN2O/c1-7(2)4-8(3)12-10(14)13-5-9(11)6-13/h7-9H,4-6H2,1-3H3,(H,12,14)
InChIKeyXZJNNJBCZIWKAC-UHFFFAOYSA-N
MW202.27 g/mol
LogP1.78
Rot. Bonds3

About 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide

3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide (PubChem CID 126782280) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide
PubChem CID126782280
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide
SMILESCC(C)CC(C)NC(=O)N1CC(F)C1
InChIInChI=1S/C10H19FN2O/c1-7(2)4-8(3)12-10(14)13-5-9(11)6-13/h7-9H,4-6H2,1-3H3,(H,12,14)
InChIKeyXZJNNJBCZIWKAC-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide (CID 126782280) is 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide is CC(C)CC(C)NC(=O)N1CC(F)C1.
What is the InChIKey of 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide?
The InChIKey is XZJNNJBCZIWKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-7(2)4-8(3)12-10(14)13-5-9(11)6-13/h7-9H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide?
3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide has a molecular weight of 202.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 126782280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).