(3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid

C21H27F5N2O5 — CID 155844142

IUPAC(3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCN(Cc1ccco1)CC1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)OC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26F2N2O3.C2HF3O2/c1-22(10-16-3-2-6-25-16)9-14-4-5-18(26-11-14)12-23(13-18)17(24)15-7-19(20,21)8-15;3-2(4,5)1(6)7/h2-3,6,14-15H,4-5,7-13H2,1H3;(H,6,7)
InChIKeyOVZOABIHWRCYQJ-UHFFFAOYSA-N
MW482.45 g/mol
LogP3.40
Rot. Bonds5

About (3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid

(3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155844142) has the molecular formula C21H27F5N2O5 and a molecular weight of 482.45 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155844142
Molecular FormulaC21H27F5N2O5
Molecular Weight482.45 g/mol
Exact Mass482.18
IUPAC Name(3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCN(Cc1ccco1)CC1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)OC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26F2N2O3.C2HF3O2/c1-22(10-16-3-2-6-25-16)9-14-4-5-18(26-11-14)12-23(13-18)17(24)15-7-19(20,21)8-15;3-2(4,5)1(6)7/h2-3,6,14-15H,4-5,7-13H2,1H3;(H,6,7)
InChIKeyOVZOABIHWRCYQJ-UHFFFAOYSA-N
XLogP3.40
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131645479
(2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131653487
furan-2-yl-[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833282
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 171686108
[7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155860903
N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid
CID 155848323
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847839
3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 126785439
2-(3,4-dihydro-2H-chromen-6-yl)-1-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155862593
8-(5-ethylpyrimidin-2-yl)-N-(furan-2-ylmethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155840163
N-(furan-2-ylmethyl)-N-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155868886
N-(furan-2-ylmethyl)-N-methyl-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 155831585

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid (CID 155844142) is (3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid is CN(Cc1ccco1)CC1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)OC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is OVZOABIHWRCYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O3.C2HF3O2/c1-22(10-16-3-2-6-25-16)9-14-4-5-18(26-11-14)12-23(13-18)17(24)15-7-19(20,21)8-15;3-2(4,5)1(6)7/h2-3,6,14-15H,4-5,7-13H2,1H3;(H,6,7).
What are the key properties of (3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid?
(3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 482.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155844142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).