3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide

C8H14F2N2O — CID 167992934

IUPAC3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide
SMILESCN(C)C(=O)N1CC(CC(F)F)C1
InChIInChI=1S/C8H14F2N2O/c1-11(2)8(13)12-4-6(5-12)3-7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyYJSWARYSORWOSD-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.25
Rot. Bonds2

About 3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide

3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide (PubChem CID 167992934) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide
PubChem CID167992934
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide
SMILESCN(C)C(=O)N1CC(CC(F)F)C1
InChIInChI=1S/C8H14F2N2O/c1-11(2)8(13)12-4-6(5-12)3-7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyYJSWARYSORWOSD-UHFFFAOYSA-N
XLogP1.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide?
The IUPAC name of 3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide (CID 167992934) is 3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide is CN(C)C(=O)N1CC(CC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide?
The InChIKey is YJSWARYSORWOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-11(2)8(13)12-4-6(5-12)3-7(9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide?
3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide has a molecular weight of 192.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-N,N-dimethylazetidine-1-carboxamide is sourced from PubChem (CID 167992934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).