(1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene

C11H18FN — CID 176585487

IUPAC(1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCC(C)C1=C(F)[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C11H18FN/c1-7(2)9-6-8-4-5-10(11(9)12)13(8)3/h7-8,10H,4-6H2,1-3H3/t8-,10+/m0/s1
InChIKeyCLJSFLFDRUSNPY-WCBMZHEXSA-N
MW183.27 g/mol
LogP2.73
Rot. Bonds1

About (1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene

(1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 176585487) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name(1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID176585487
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCC(C)C1=C(F)[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C11H18FN/c1-7(2)9-6-8-4-5-10(11(9)12)13(8)3/h7-8,10H,4-6H2,1-3H3/t8-,10+/m0/s1
InChIKeyCLJSFLFDRUSNPY-WCBMZHEXSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of (1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene (CID 176585487) is (1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for (1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for (1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene is CC(C)C1=C(F)[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of (1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is CLJSFLFDRUSNPY-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H18FN/c1-7(2)9-6-8-4-5-10(11(9)12)13(8)3/h7-8,10H,4-6H2,1-3H3/t8-,10+/m0/s1.
What are the key properties of (1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene?
(1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 183.27 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 176585487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).