3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide

C9H15FN2O — CID 126987286

IUPAC3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide
SMILESC[C@@H]1C[C@H]1NC(=O)N1CC(C)(F)C1
InChIInChI=1S/C9H15FN2O/c1-6-3-7(6)11-8(13)12-4-9(2,10)5-12/h6-7H,3-5H2,1-2H3,(H,11,13)/t6-,7-/m1/s1
InChIKeyYLBPEYBGRKXHSH-RNFRBKRXSA-N
MW186.23 g/mol
LogP1.15
Rot. Bonds1

About 3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide

3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide (PubChem CID 126987286) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide
PubChem CID126987286
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide
SMILESC[C@@H]1C[C@H]1NC(=O)N1CC(C)(F)C1
InChIInChI=1S/C9H15FN2O/c1-6-3-7(6)11-8(13)12-4-9(2,10)5-12/h6-7H,3-5H2,1-2H3,(H,11,13)/t6-,7-/m1/s1
InChIKeyYLBPEYBGRKXHSH-RNFRBKRXSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide?
The IUPAC name of 3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide (CID 126987286) is 3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide is C[C@@H]1C[C@H]1NC(=O)N1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide?
The InChIKey is YLBPEYBGRKXHSH-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-6-3-7(6)11-8(13)12-4-9(2,10)5-12/h6-7H,3-5H2,1-2H3,(H,11,13)/t6-,7-/m1/s1.
What are the key properties of 3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide?
3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide has a molecular weight of 186.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide is sourced from PubChem (CID 126987286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).