(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid

C16H24F4N2O4 — CID 155866705

IUPAC(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCOCCN1C2CCC1CN(C(=O)C1CC(F)C1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23FN2O2.C2HF3O2/c1-19-5-4-17-12-2-3-13(17)9-16(8-12)14(18)10-6-11(15)7-10;3-2(4,5)1(6)7/h10-13H,2-9H2,1H3;(H,6,7)
InChIKeyHBVAJTDWSHBRAG-UHFFFAOYSA-N
MW384.37 g/mol
LogP1.69
Rot. Bonds4

About (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid

(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155866705) has the molecular formula C16H24F4N2O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155866705
Molecular FormulaC16H24F4N2O4
Molecular Weight384.37 g/mol
Exact Mass384.17
IUPAC Name(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCOCCN1C2CCC1CN(C(=O)C1CC(F)C1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23FN2O2.C2HF3O2/c1-19-5-4-17-12-2-3-13(17)9-16(8-12)14(18)10-6-11(15)7-10;3-2(4,5)1(6)7/h10-13H,2-9H2,1H3;(H,6,7)
InChIKeyHBVAJTDWSHBRAG-UHFFFAOYSA-N
XLogP1.69
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(3-hydroxycyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 131680688
[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone
CID 155870817
cyclobutyl-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155853117
3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 171153397
2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 131641109
7-[(3-fluorophenyl)methyl]-9-(2-methoxyethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155824172
[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 95121753
cyclobutyl-[8-(2-methoxyethyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867287
cyclopentyl-[8-(2-methoxyethyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867237
3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane
CID 104567144
[4-(2-methoxyethyl)piperidin-1-yl]-(3-methylcyclobutyl)methanone
CID 156719806
(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclobutyl]methanone
CID 129269840

Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid (CID 155866705) is (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid is COCCN1C2CCC1CN(C(=O)C1CC(F)C1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is HBVAJTDWSHBRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2.C2HF3O2/c1-19-5-4-17-12-2-3-13(17)9-16(8-12)14(18)10-6-11(15)7-10;3-2(4,5)1(6)7/h10-13H,2-9H2,1H3;(H,6,7).
What are the key properties of (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid?
(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 384.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155866705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).