N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide

C9H15FN2O — CID 126988332

IUPACN-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide
SMILESCC1(C)CC1NC(=O)N1CC(F)C1
InChIInChI=1S/C9H15FN2O/c1-9(2)3-7(9)11-8(13)12-4-6(10)5-12/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyXAXZQGVVMOQBDA-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.15
Rot. Bonds1

About N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide

N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide (PubChem CID 126988332) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide
PubChem CID126988332
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC NameN-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide
SMILESCC1(C)CC1NC(=O)N1CC(F)C1
InChIInChI=1S/C9H15FN2O/c1-9(2)3-7(9)11-8(13)12-4-6(10)5-12/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyXAXZQGVVMOQBDA-UHFFFAOYSA-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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Related Compounds

1-(2-Fluoro-2-methylcyclopropyl)-3-propan-2-ylurea
CID 118330200
N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide
CID 170220583
1-(2,2-Dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115590513
3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide
CID 126782280
N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide
CID 126987208
3-fluoro-3-methyl-N-[(1R,2R)-2-methylcyclopropyl]azetidine-1-carboxamide
CID 126987286
3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide
CID 127013154
N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide
CID 130661086
N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide
CID 130668602
3-fluoro-N-propan-2-ylazetidine-1-carboxamide
CID 130694453
N-butan-2-yl-3-fluoroazetidine-1-carboxamide
CID 130739936
1-(2,2-Difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea
CID 130747154

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide (CID 126988332) is N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide is CC1(C)CC1NC(=O)N1CC(F)C1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide?
The InChIKey is XAXZQGVVMOQBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-9(2)3-7(9)11-8(13)12-4-6(10)5-12/h6-7H,3-5H2,1-2H3,(H,11,13).
What are the key properties of N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide?
N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-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 N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide is sourced from PubChem (CID 126988332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).