(1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane

C11H19F2N — CID 153298728

IUPAC(1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane
SMILESC[C@@H]1C[C@@H]2[C@@H](CC2(F)F)N1C(C)(C)C
InChIInChI=1S/C11H19F2N/c1-7-5-8-9(6-11(8,12)13)14(7)10(2,3)4/h7-9H,5-6H2,1-4H3/t7-,8-,9-/m1/s1
InChIKeyFQJYGOSQRFBRJG-IWSPIJDZSA-N
MW203.28 g/mol
LogP2.90
Rot. Bonds

About (1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane

(1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane (PubChem CID 153298728) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is (1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane
PubChem CID153298728
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane
SMILESC[C@@H]1C[C@@H]2[C@@H](CC2(F)F)N1C(C)(C)C
InChIInChI=1S/C11H19F2N/c1-7-5-8-9(6-11(8,12)13)14(7)10(2,3)4/h7-9H,5-6H2,1-4H3/t7-,8-,9-/m1/s1
InChIKeyFQJYGOSQRFBRJG-IWSPIJDZSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane?
The IUPAC name of (1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane (CID 153298728) is (1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane?
The canonical SMILES for (1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane is C[C@@H]1C[C@@H]2[C@@H](CC2(F)F)N1C(C)(C)C.
What is the InChIKey of (1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane?
The InChIKey is FQJYGOSQRFBRJG-IWSPIJDZSA-N. The full InChI is InChI=1S/C11H19F2N/c1-7-5-8-9(6-11(8,12)13)14(7)10(2,3)4/h7-9H,5-6H2,1-4H3/t7-,8-,9-/m1/s1.
What are the key properties of (1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane?
(1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane has a molecular weight of 203.28 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 153298728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).