10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene

C18H32FN — CID 176830002

IUPAC10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=C(C(C)C)C2(CC1)CCN(C(C)C)CC2F
InChIInChI=1S/C18H32FN/c1-12(2)15-7-8-18(17(15)13(3)4)9-10-20(14(5)6)11-16(18)19/h12-14,16H,7-11H2,1-6H3
InChIKeyLBHZUKYAGSWIOI-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.83
Rot. Bonds3

About 10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene

10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene (PubChem CID 176830002) has the molecular formula C18H32FN and a molecular weight of 281.46 g/mol. Its IUPAC name is 10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
PubChem CID176830002
Molecular FormulaC18H32FN
Molecular Weight281.46 g/mol
Exact Mass281.25
IUPAC Name10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=C(C(C)C)C2(CC1)CCN(C(C)C)CC2F
InChIInChI=1S/C18H32FN/c1-12(2)15-7-8-18(17(15)13(3)4)9-10-20(14(5)6)11-16(18)19/h12-14,16H,7-11H2,1-6H3
InChIKeyLBHZUKYAGSWIOI-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,5S)-3,5-difluoro-4-nonan-4-ylcyclohex-3-en-1-yl]methyl]-N-propylbutan-1-amine
CID 129227412
(Z,2R)-N-(cycloheptylmethyl)-N-(cyclohexylmethyl)-5-fluoro-4-methylhex-4-en-2-amine
CID 144358977
1,2,5,6-tetratert-butyl-4-fluoro-3,4-dihydro-2H-pyridine
CID 172171245
6-Fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176829614
(2E)-2-(fluoromethylidene)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176829744
9-Fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
CID 176829800
2-(Difluoromethyl)-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176829876
2-Fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176829939
(1S,3'R,4S,5R)-3'-fluoro-1',2,3-tri(propan-2-yl)spiro[bicyclo[3.1.0]hex-2-ene-4,4'-piperidine]
CID 176830000
(1R,3'R,4S,5S)-3'-fluoro-1',2,3-tri(propan-2-yl)spiro[bicyclo[3.1.0]hex-2-ene-4,4'-piperidine]
CID 176830086
(3'S,4R)-3'-fluoro-1',2,3-tri(propan-2-yl)spiro[bicyclo[3.1.0]hex-2-ene-4,4'-piperidine]
CID 176830093
(1S,3'S,4R,5R)-3'-fluoro-1',2,3-tri(propan-2-yl)spiro[bicyclo[3.1.0]hex-2-ene-4,4'-piperidine]
CID 176830101

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene (CID 176830002) is 10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene is CC(C)C1=C(C(C)C)C2(CC1)CCN(C(C)C)CC2F.
What is the InChIKey of 10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The InChIKey is LBHZUKYAGSWIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32FN/c1-12(2)15-7-8-18(17(15)13(3)4)9-10-20(14(5)6)11-16(18)19/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene has a molecular weight of 281.46 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 176830002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).