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

C9H17FN2O — CID 130683825

IUPAC3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CC(C)(F)C1
InChIInChI=1S/C9H17FN2O/c1-7(2)4-11-8(13)12-5-9(3,10)6-12/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyDXWHFJZHFUCZCG-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.40
Rot. Bonds2

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

3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide (PubChem CID 130683825) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide
PubChem CID130683825
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CC(C)(F)C1
InChIInChI=1S/C9H17FN2O/c1-7(2)4-11-8(13)12-5-9(3,10)6-12/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyDXWHFJZHFUCZCG-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Urea, N,N'-bis(2-methylpropyl)-
CID 3013983
N-(tert-butyl)-3,3-difluoroazetidine-1-carboxamide
CID 122269479
N-ethyl-3,3-difluoroazetidine-1-carboxamide
CID 122269483
3,3-difluoro-N-propylazetidine-1-carboxamide
CID 122269486
3-fluoro-N-methylazetidine-1-carboxamide
CID 131086353
2-fluoro-N-methylazetidine-1-carboxamide
CID 141334052
1-[3-(Dimethylamino)propyl]-3-(2-fluoroethyl)urea
CID 142717407
3,3-difluoro-N-propylazetidine-1-carboxamide;ethane
CID 165138936
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide
CID 165139077
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen
CID 165139144
N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide
CID 167134973
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167135157

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide?
The IUPAC name of 3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide (CID 130683825) is 3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide is CC(C)CNC(=O)N1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide?
The InChIKey is DXWHFJZHFUCZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-7(2)4-11-8(13)12-5-9(3,10)6-12/h7H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide?
3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide has a molecular weight of 188.25 g/mol, XLogP of 1.40, 2 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-(2-methylpropyl)azetidine-1-carboxamide is sourced from PubChem (CID 130683825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).