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

C12H22FN — CID 122451378

IUPAC(3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
SMILESCC(C)[C@@H]1C2CC(CC2F)N1C(C)C
InChIInChI=1S/C12H22FN/c1-7(2)12-10-5-9(6-11(10)13)14(12)8(3)4/h7-12H,5-6H2,1-4H3/t9?,10?,11?,12-/m1/s1
InChIKeyASGAISVATDHEDN-XHUCQOSOSA-N
MW199.31 g/mol
LogP2.85
Rot. Bonds2

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

(3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane (PubChem CID 122451378) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
PubChem CID122451378
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
SMILESCC(C)[C@@H]1C2CC(CC2F)N1C(C)C
InChIInChI=1S/C12H22FN/c1-7(2)12-10-5-9(6-11(10)13)14(12)8(3)4/h7-12H,5-6H2,1-4H3/t9?,10?,11?,12-/m1/s1
InChIKeyASGAISVATDHEDN-XHUCQOSOSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane (CID 122451378) is (3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane is CC(C)[C@@H]1C2CC(CC2F)N1C(C)C.
What is the InChIKey of (3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is ASGAISVATDHEDN-XHUCQOSOSA-N. The full InChI is InChI=1S/C12H22FN/c1-7(2)12-10-5-9(6-11(10)13)14(12)8(3)4/h7-12H,5-6H2,1-4H3/t9?,10?,11?,12-/m1/s1.
What are the key properties of (3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane?
(3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 199.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-fluoro-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 122451378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).