9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene

C19H34FN — CID 176829800

IUPAC9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
SMILESCC(C)C1=C(C(C)C)C2(CCC1F)CCN(C(C)C)CC2
InChIInChI=1S/C19H34FN/c1-13(2)17-16(20)7-8-19(18(17)14(3)4)9-11-21(12-10-19)15(5)6/h13-16H,7-12H2,1-6H3
InChIKeyBFJPOOHWTZTWHI-UHFFFAOYSA-N
MW295.49 g/mol
LogP5.22
Rot. Bonds3

About 9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene

9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene (PubChem CID 176829800) has the molecular formula C19H34FN and a molecular weight of 295.49 g/mol. Its IUPAC name is 9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene.

Molecular Properties

Compound Name9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
PubChem CID176829800
Molecular FormulaC19H34FN
Molecular Weight295.49 g/mol
Exact Mass295.27
IUPAC Name9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
SMILESCC(C)C1=C(C(C)C)C2(CCC1F)CCN(C(C)C)CC2
InChIInChI=1S/C19H34FN/c1-13(2)17-16(20)7-8-19(18(17)14(3)4)9-11-21(12-10-19)15(5)6/h13-16H,7-12H2,1-6H3
InChIKeyBFJPOOHWTZTWHI-UHFFFAOYSA-N
XLogP5.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.49
LogP ≤ 55.22
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 9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene?
The IUPAC name of 9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene (CID 176829800) is 9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene.
What is the SMILES notation for 9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene?
The canonical SMILES for 9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene is CC(C)C1=C(C(C)C)C2(CCC1F)CCN(C(C)C)CC2.
What is the InChIKey of 9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene?
The InChIKey is BFJPOOHWTZTWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34FN/c1-13(2)17-16(20)7-8-19(18(17)14(3)4)9-11-21(12-10-19)15(5)6/h13-16H,7-12H2,1-6H3.
What are the key properties of 9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene?
9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene has a molecular weight of 295.49 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene is sourced from PubChem (CID 176829800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).