N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide

C10H16F2N2O — CID 167135416

IUPACN-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CC2C(C1)C2(F)F
InChIInChI=1S/C10H16F2N2O/c1-3-6(2)13-9(15)14-4-7-8(5-14)10(7,11)12/h6-8H,3-5H2,1-2H3,(H,13,15)/t6-,7?,8?/m1/s1
InChIKeyWYLFINRGDFRQLR-JECWYVHBSA-N
MW218.25 g/mol
LogP1.69
Rot. Bonds2

About N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide

N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 167135416) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID167135416
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC NameN-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CC2C(C1)C2(F)F
InChIInChI=1S/C10H16F2N2O/c1-3-6(2)13-9(15)14-4-7-8(5-14)10(7,11)12/h6-8H,3-5H2,1-2H3,(H,13,15)/t6-,7?,8?/m1/s1
InChIKeyWYLFINRGDFRQLR-JECWYVHBSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-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-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 167135416) is N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide is CC[C@@H](C)NC(=O)N1CC2C(C1)C2(F)F.
What is the InChIKey of N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is WYLFINRGDFRQLR-JECWYVHBSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-3-6(2)13-9(15)14-4-7-8(5-14)10(7,11)12/h6-8H,3-5H2,1-2H3,(H,13,15)/t6-,7?,8?/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide?
N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 218.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 167135416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).