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

C11H18F2N2O — CID 167134990

IUPAC6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC2C(C1)C2(F)F
InChIInChI=1S/C11H18F2N2O/c1-6(2)7(3)14-10(16)15-4-8-9(5-15)11(8,12)13/h6-9H,4-5H2,1-3H3,(H,14,16)/t7-,8?,9?/m1/s1
InChIKeyOJUXJGHCBCYDDT-AFPNSQJFSA-N
MW232.27 g/mol
LogP1.94
Rot. Bonds2

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

6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 167134990) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID167134990
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC2C(C1)C2(F)F
InChIInChI=1S/C11H18F2N2O/c1-6(2)7(3)14-10(16)15-4-8-9(5-15)11(8,12)13/h6-9H,4-5H2,1-3H3,(H,14,16)/t7-,8?,9?/m1/s1
InChIKeyOJUXJGHCBCYDDT-AFPNSQJFSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 167134990) is 6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is CC(C)[C@@H](C)NC(=O)N1CC2C(C1)C2(F)F.
What is the InChIKey of 6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is OJUXJGHCBCYDDT-AFPNSQJFSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-6(2)7(3)14-10(16)15-4-8-9(5-15)11(8,12)13/h6-9H,4-5H2,1-3H3,(H,14,16)/t7-,8?,9?/m1/s1.
What are the key properties of 6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 232.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-N-[(2R)-3-methylbutan-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 167134990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).