3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide

C9H17FN2O2 — CID 154745621

IUPAC3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CC(F)C1
InChIInChI=1S/C9H17FN2O2/c1-9(2,14-3)6-11-8(13)12-4-7(10)5-12/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyFQKSOGNOMZGCAY-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.77
Rot. Bonds3

About 3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide

3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide (PubChem CID 154745621) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide
PubChem CID154745621
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Name3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CC(F)C1
InChIInChI=1S/C9H17FN2O2/c1-9(2,14-3)6-11-8(13)12-4-7(10)5-12/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyFQKSOGNOMZGCAY-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide
CID 126431344
4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 111482924
4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 126423568
4-(1-hydroxy-3-phenylpropyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 119058706
(3S,4S)-1-[(2-methoxy-2-methylbutyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122016306
2-[8-[(2-methoxy-2-methylpropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 104764125
2-bromo-N-(2-methoxy-2-methylpropyl)acetamide
CID 104759825
1-(2-methoxy-2-methylpropyl)-3-methylurea
CID 115660964
1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid
CID 79557763
1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 59440861
(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104985172
(2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 97240751

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide (CID 154745621) is 3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide is COC(C)(C)CNC(=O)N1CC(F)C1.
What is the InChIKey of 3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide?
The InChIKey is FQKSOGNOMZGCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-9(2,14-3)6-11-8(13)12-4-7(10)5-12/h7H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide?
3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide has a molecular weight of 204.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide is sourced from PubChem (CID 154745621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).