9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

C15H24FN — CID 167424930

IUPAC9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1C2C3CC(C=C3F)C2CN1C(C)C
InChIInChI=1S/C15H24FN/c1-8(2)15-14-11-5-10(6-13(11)16)12(14)7-17(15)9(3)4/h6,8-12,14-15H,5,7H2,1-4H3
InChIKeyRTFYOCOLBNEFOE-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.47
Rot. Bonds2

About 9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 167424930) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID167424930
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1C2C3CC(C=C3F)C2CN1C(C)C
InChIInChI=1S/C15H24FN/c1-8(2)15-14-11-5-10(6-13(11)16)12(14)7-17(15)9(3)4/h6,8-12,14-15H,5,7H2,1-4H3
InChIKeyRTFYOCOLBNEFOE-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 167424930) is 9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is CC(C)C1C2C3CC(C=C3F)C2CN1C(C)C.
What is the InChIKey of 9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is RTFYOCOLBNEFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-8(2)15-14-11-5-10(6-13(11)16)12(14)7-17(15)9(3)4/h6,8-12,14-15H,5,7H2,1-4H3.
What are the key properties of 9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 237.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 167424930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).