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

C15H24FN — CID 167425108

IUPAC10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1C2C3C=CC(C3F)C2CN1C(C)C
InChIInChI=1S/C15H24FN/c1-8(2)15-13-11-6-5-10(14(11)16)12(13)7-17(15)9(3)4/h5-6,8-15H,7H2,1-4H3
InChIKeyHNVAAHKXUHAISH-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.12
Rot. Bonds2

About 10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 167425108) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID167425108
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1C2C3C=CC(C3F)C2CN1C(C)C
InChIInChI=1S/C15H24FN/c1-8(2)15-13-11-6-5-10(14(11)16)12(13)7-17(15)9(3)4/h5-6,8-15H,7H2,1-4H3
InChIKeyHNVAAHKXUHAISH-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 167425108) is 10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is CC(C)C1C2C3C=CC(C3F)C2CN1C(C)C.
What is the InChIKey of 10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is HNVAAHKXUHAISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-8(2)15-13-11-6-5-10(14(11)16)12(13)7-17(15)9(3)4/h5-6,8-15H,7H2,1-4H3.
What are the key properties of 10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
10-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 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 167425108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).