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

C17H30FN — CID 177162403

IUPAC9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
SMILESCC(C)C1=C(C(C)C)C2(CCC1F)CCN(C)CC2
InChIInChI=1S/C17H30FN/c1-12(2)15-14(18)6-7-17(16(15)13(3)4)8-10-19(5)11-9-17/h12-14H,6-11H2,1-5H3
InChIKeyBSCSUONWTFRJQD-UHFFFAOYSA-N
MW267.43 g/mol
LogP4.44
Rot. Bonds2

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

9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene (PubChem CID 177162403) has the molecular formula C17H30FN and a molecular weight of 267.43 g/mol. Its IUPAC name is 9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene.

Molecular Properties

Compound Name9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
PubChem CID177162403
Molecular FormulaC17H30FN
Molecular Weight267.43 g/mol
Exact Mass267.24
IUPAC Name9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
SMILESCC(C)C1=C(C(C)C)C2(CCC1F)CCN(C)CC2
InChIInChI=1S/C17H30FN/c1-12(2)15-14(18)6-7-17(16(15)13(3)4)8-10-19(5)11-9-17/h12-14H,6-11H2,1-5H3
InChIKeyBSCSUONWTFRJQD-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.43
LogP ≤ 54.44
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-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene?
The IUPAC name of 9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene (CID 177162403) is 9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene.
What is the SMILES notation for 9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene?
The canonical SMILES for 9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene is CC(C)C1=C(C(C)C)C2(CCC1F)CCN(C)CC2.
What is the InChIKey of 9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene?
The InChIKey is BSCSUONWTFRJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FN/c1-12(2)15-14(18)6-7-17(16(15)13(3)4)8-10-19(5)11-9-17/h12-14H,6-11H2,1-5H3.
What are the key properties of 9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene?
9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene has a molecular weight of 267.43 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene is sourced from PubChem (CID 177162403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).