N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide

C12H17F2NO — CID 128646181

IUPACN-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(NC12CCC(CC1)CC2)C1CC1(F)F
InChIInChI=1S/C12H17F2NO/c13-12(14)7-9(12)10(16)15-11-4-1-8(2-5-11)3-6-11/h8-9H,1-7H2,(H,15,16)
InChIKeyLPLICJORLSTKEG-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.48
Rot. Bonds2

About N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide

N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 128646181) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide
PubChem CID128646181
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(NC12CCC(CC1)CC2)C1CC1(F)F
InChIInChI=1S/C12H17F2NO/c13-12(14)7-9(12)10(16)15-11-4-1-8(2-5-11)3-6-11/h8-9H,1-7H2,(H,15,16)
InChIKeyLPLICJORLSTKEG-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide (CID 128646181) is N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide is O=C(NC12CCC(CC1)CC2)C1CC1(F)F.
What is the InChIKey of N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is LPLICJORLSTKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c13-12(14)7-9(12)10(16)15-11-4-1-8(2-5-11)3-6-11/h8-9H,1-7H2,(H,15,16).
What are the key properties of N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide?
N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 229.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 128646181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).