2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide

C9H11F2N3O — CID 178181150

IUPAC2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide
SMILESN#CCC1CCN1C(=O)NC1CC1(F)F
InChIInChI=1S/C9H11F2N3O/c10-9(11)5-7(9)13-8(15)14-4-2-6(14)1-3-12/h6-7H,1-2,4-5H2,(H,13,15)
InChIKeySQKQEMIKDQXKJC-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.09
Rot. Bonds2

About 2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide

2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide (PubChem CID 178181150) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide
PubChem CID178181150
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide
SMILESN#CCC1CCN1C(=O)NC1CC1(F)F
InChIInChI=1S/C9H11F2N3O/c10-9(11)5-7(9)13-8(15)14-4-2-6(14)1-3-12/h6-7H,1-2,4-5H2,(H,13,15)
InChIKeySQKQEMIKDQXKJC-UHFFFAOYSA-N
XLogP1.09
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide?
The IUPAC name of 2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide (CID 178181150) is 2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide.
What is the SMILES notation for 2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide?
The canonical SMILES for 2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide is N#CCC1CCN1C(=O)NC1CC1(F)F.
What is the InChIKey of 2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide?
The InChIKey is SQKQEMIKDQXKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-9(11)5-7(9)13-8(15)14-4-2-6(14)1-3-12/h6-7H,1-2,4-5H2,(H,13,15).
What are the key properties of 2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide?
2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide has a molecular weight of 215.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide is sourced from PubChem (CID 178181150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).