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

C19H34FN — CID 176829614

IUPAC6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=C(C(C)C)C2(CCN(C(C)C)CC2F)CC1C
InChIInChI=1S/C19H34FN/c1-12(2)17-15(7)10-19(18(17)13(3)4)8-9-21(14(5)6)11-16(19)20/h12-16H,8-11H2,1-7H3
InChIKeyKXUVKPIAYHSMGK-UHFFFAOYSA-N
MW295.49 g/mol
LogP5.07
Rot. Bonds3

About 6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene

6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene (PubChem CID 176829614) has the molecular formula C19H34FN and a molecular weight of 295.49 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
PubChem CID176829614
Molecular FormulaC19H34FN
Molecular Weight295.49 g/mol
Exact Mass295.27
IUPAC Name6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=C(C(C)C)C2(CCN(C(C)C)CC2F)CC1C
InChIInChI=1S/C19H34FN/c1-12(2)17-15(7)10-19(18(17)13(3)4)8-9-21(14(5)6)11-16(19)20/h12-16H,8-11H2,1-7H3
InChIKeyKXUVKPIAYHSMGK-UHFFFAOYSA-N
XLogP5.07
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 ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
(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
10-Fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176830002
(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 6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene (CID 176829614) is 6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene is CC(C)C1=C(C(C)C)C2(CCN(C(C)C)CC2F)CC1C.
What is the InChIKey of 6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The InChIKey is KXUVKPIAYHSMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34FN/c1-12(2)17-15(7)10-19(18(17)13(3)4)8-9-21(14(5)6)11-16(19)20/h12-16H,8-11H2,1-7H3.
What are the key properties of 6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene has a molecular weight of 295.49 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 176829614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).