8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane

C10H15F3N2 — CID 178037909

IUPAC8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESC=C(N1CC2CCC(C1)N2C)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-7(10(11,12)13)15-5-8-3-4-9(6-15)14(8)2/h8-9H,1,3-6H2,2H3
InChIKeyDEDNYDIUHUWHMF-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.84
Rot. Bonds1

About 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane

8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 178037909) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID178037909
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESC=C(N1CC2CCC(C1)N2C)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-7(10(11,12)13)15-5-8-3-4-9(6-15)14(8)2/h8-9H,1,3-6H2,2H3
InChIKeyDEDNYDIUHUWHMF-UHFFFAOYSA-N
XLogP1.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane with MolForge

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Related Compounds

1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70326972
2-chloro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)prop-2-en-1-one
CID 131002516
8-methyl-3-(2,3,4-trimethylpentan-3-yl)-3,8-diazabicyclo[3.2.1]octane
CID 155171561
1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
CID 155072526
1-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]prop-2-en-1-one
CID 124671083
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
8-(2-iodopropan-2-yl)-3-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 170184622
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one
CID 171938074
tert-butyl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 18545171
N,N,9-trimethyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667112
2-[(3Z)-2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hepta-1,3-dien-4-yl]guanidine
CID 89250349
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane (CID 178037909) is 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane is C=C(N1CC2CCC(C1)N2C)C(F)(F)F.
What is the InChIKey of 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is DEDNYDIUHUWHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-7(10(11,12)13)15-5-8-3-4-9(6-15)14(8)2/h8-9H,1,3-6H2,2H3.
What are the key properties of 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane?
8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 220.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 178037909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).