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

C9H14F2N2O — CID 167136622

IUPACN-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide
SMILESCC1CC1(C)NC(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H14F2N2O/c1-6-3-8(6,2)12-7(14)13-4-9(10,11)5-13/h6H,3-5H2,1-2H3,(H,12,14)
InChIKeyDQKHOTMRWZBPGK-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.45
Rot. Bonds1

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

N-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide (PubChem CID 167136622) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is N-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide
PubChem CID167136622
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC NameN-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide
SMILESCC1CC1(C)NC(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H14F2N2O/c1-6-3-8(6,2)12-7(14)13-4-9(10,11)5-13/h6H,3-5H2,1-2H3,(H,12,14)
InChIKeyDQKHOTMRWZBPGK-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide?
The IUPAC name of N-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide (CID 167136622) is N-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide.
What is the SMILES notation for N-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide?
The canonical SMILES for N-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide is CC1CC1(C)NC(=O)N1CC(F)(F)C1.
What is the InChIKey of N-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide?
The InChIKey is DQKHOTMRWZBPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-6-3-8(6,2)12-7(14)13-4-9(10,11)5-13/h6H,3-5H2,1-2H3,(H,12,14).
What are the key properties of N-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide?
N-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide has a molecular weight of 204.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide is sourced from PubChem (CID 167136622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).