4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

C19H26FN — CID 10085466

IUPAC4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCC(C)=CCN1CCC2(C)c3cc(F)ccc3CC1C2C
InChIInChI=1S/C19H26FN/c1-13(2)7-9-21-10-8-19(4)14(3)18(21)11-15-5-6-16(20)12-17(15)19/h5-7,12,14,18H,8-11H2,1-4H3
InChIKeySHBWFWVQWMKEMZ-UHFFFAOYSA-N
MW287.42 g/mol
LogP4.32
Rot. Bonds2

About 4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (PubChem CID 10085466) has the molecular formula C19H26FN and a molecular weight of 287.42 g/mol. Its IUPAC name is 4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
PubChem CID10085466
Molecular FormulaC19H26FN
Molecular Weight287.42 g/mol
Exact Mass287.20
IUPAC Name4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCC(C)=CCN1CCC2(C)c3cc(F)ccc3CC1C2C
InChIInChI=1S/C19H26FN/c1-13(2)7-9-21-10-8-19(4)14(3)18(21)11-15-5-6-16(20)12-17(15)19/h5-7,12,14,18H,8-11H2,1-4H3
InChIKeySHBWFWVQWMKEMZ-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 54.32
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 4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (CID 10085466) is 4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is CC(C)=CCN1CCC2(C)c3cc(F)ccc3CC1C2C.
What is the InChIKey of 4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is SHBWFWVQWMKEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN/c1-13(2)7-9-21-10-8-19(4)14(3)18(21)11-15-5-6-16(20)12-17(15)19/h5-7,12,14,18H,8-11H2,1-4H3.
What are the key properties of 4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 287.42 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 10085466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).