(3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane

C11H20FN — CID 146374279

IUPAC(3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
SMILESCC[C@@H]1C2CC(CC2F)N1C(C)C
InChIInChI=1S/C11H20FN/c1-4-11-9-5-8(6-10(9)12)13(11)7(2)3/h7-11H,4-6H2,1-3H3/t8?,9?,10?,11-/m1/s1
InChIKeyHZFOTNKKEFOZMC-AHELAYONSA-N
MW185.29 g/mol
LogP2.61
Rot. Bonds2

About (3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane

(3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane (PubChem CID 146374279) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
PubChem CID146374279
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
SMILESCC[C@@H]1C2CC(CC2F)N1C(C)C
InChIInChI=1S/C11H20FN/c1-4-11-9-5-8(6-10(9)12)13(11)7(2)3/h7-11H,4-6H2,1-3H3/t8?,9?,10?,11-/m1/s1
InChIKeyHZFOTNKKEFOZMC-AHELAYONSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane (CID 146374279) is (3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane is CC[C@@H]1C2CC(CC2F)N1C(C)C.
What is the InChIKey of (3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane?
The InChIKey is HZFOTNKKEFOZMC-AHELAYONSA-N. The full InChI is InChI=1S/C11H20FN/c1-4-11-9-5-8(6-10(9)12)13(11)7(2)3/h7-11H,4-6H2,1-3H3/t8?,9?,10?,11-/m1/s1.
What are the key properties of (3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane?
(3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane has a molecular weight of 185.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-5-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 146374279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).