2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene

C13H18FN — CID 129236268

IUPAC2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene
SMILESC=C(C)C1CN2CC1=CC=C2C(C)(C)F
InChIInChI=1S/C13H18FN/c1-9(2)11-8-15-7-10(11)5-6-12(15)13(3,4)14/h5-6,11H,1,7-8H2,2-4H3
InChIKeyUXUZSKCVSVUVRO-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.07
Rot. Bonds2

About 2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene

2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene (PubChem CID 129236268) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene
PubChem CID129236268
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene
SMILESC=C(C)C1CN2CC1=CC=C2C(C)(C)F
InChIInChI=1S/C13H18FN/c1-9(2)11-8-15-7-10(11)5-6-12(15)13(3,4)14/h5-6,11H,1,7-8H2,2-4H3
InChIKeyUXUZSKCVSVUVRO-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.07
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 2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene?
The IUPAC name of 2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene (CID 129236268) is 2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene is C=C(C)C1CN2CC1=CC=C2C(C)(C)F.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene?
The InChIKey is UXUZSKCVSVUVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(2)11-8-15-7-10(11)5-6-12(15)13(3,4)14/h5-6,11H,1,7-8H2,2-4H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene?
2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene has a molecular weight of 207.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene is sourced from PubChem (CID 129236268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).