N-butan-2-yl-3-fluoroazetidine-1-carboxamide

C8H15FN2O — CID 130739936

IUPACN-butan-2-yl-3-fluoroazetidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CC(F)C1
InChIInChI=1S/C8H15FN2O/c1-3-6(2)10-8(12)11-4-7(9)5-11/h6-7H,3-5H2,1-2H3,(H,10,12)
InChIKeyZUJVWBCTZZNOAY-UHFFFAOYSA-N
MW174.22 g/mol
LogP1.15
Rot. Bonds2

About N-butan-2-yl-3-fluoroazetidine-1-carboxamide

N-butan-2-yl-3-fluoroazetidine-1-carboxamide (PubChem CID 130739936) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is N-butan-2-yl-3-fluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-fluoroazetidine-1-carboxamide
PubChem CID130739936
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC NameN-butan-2-yl-3-fluoroazetidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CC(F)C1
InChIInChI=1S/C8H15FN2O/c1-3-6(2)10-8(12)11-4-7(9)5-11/h6-7H,3-5H2,1-2H3,(H,10,12)
InChIKeyZUJVWBCTZZNOAY-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-fluoroazetidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-3-fluoroazetidine-1-carboxamide (CID 130739936) is N-butan-2-yl-3-fluoroazetidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-fluoroazetidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-3-fluoroazetidine-1-carboxamide is CCC(C)NC(=O)N1CC(F)C1.
What is the InChIKey of N-butan-2-yl-3-fluoroazetidine-1-carboxamide?
The InChIKey is ZUJVWBCTZZNOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-3-6(2)10-8(12)11-4-7(9)5-11/h6-7H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-butan-2-yl-3-fluoroazetidine-1-carboxamide?
N-butan-2-yl-3-fluoroazetidine-1-carboxamide has a molecular weight of 174.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-fluoroazetidine-1-carboxamide is sourced from PubChem (CID 130739936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).