3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid

C16H23F5N2O4 — CID 155861162

IUPAC3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CC2(C1)OCCC2CCNC(=O)C1CC(F)(F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22F2N2O2.C2HF3O2/c1-18-8-13(9-18)11(3-5-20-13)2-4-17-12(19)10-6-14(15,16)7-10;3-2(4,5)1(6)7/h10-11H,2-9H2,1H3,(H,17,19);(H,6,7)
InChIKeyJDQFDAQORDNNNN-UHFFFAOYSA-N
MW402.36 g/mol
LogP1.89
Rot. Bonds4

About 3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid

3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155861162) has the molecular formula C16H23F5N2O4 and a molecular weight of 402.36 g/mol. Its IUPAC name is 3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155861162
Molecular FormulaC16H23F5N2O4
Molecular Weight402.36 g/mol
Exact Mass402.16
IUPAC Name3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CC2(C1)OCCC2CCNC(=O)C1CC(F)(F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22F2N2O2.C2HF3O2/c1-18-8-13(9-18)11(3-5-20-13)2-4-17-12(19)10-6-14(15,16)7-10;3-2(4,5)1(6)7/h10-11H,2-9H2,1H3,(H,17,19);(H,6,7)
InChIKeyJDQFDAQORDNNNN-UHFFFAOYSA-N
XLogP1.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide
CID 131650386
1-methyl-N-[2-[2-(oxan-4-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155835795
N-[2-[2-(1-fluorocyclobutanecarbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155860852
N-[2-[2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
CID 155844151
N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155836773
3,3-difluoro-N-propylcyclobutane-1-carboxamide
CID 130711162
(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131650244
N-[2-[2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 155860626
N-[2-[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155854694
N-[2-[2-(3-methylbenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155860881
(3,3-difluorocyclobutyl)-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155828081
N,N-diethyl-2-[2-(4-methylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 155863370

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155861162) is 3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid is CN1CC2(C1)OCCC2CCNC(=O)C1CC(F)(F)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JDQFDAQORDNNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2.C2HF3O2/c1-18-8-13(9-18)11(3-5-20-13)2-4-17-12(19)10-6-14(15,16)7-10;3-2(4,5)1(6)7/h10-11H,2-9H2,1H3,(H,17,19);(H,6,7).
What are the key properties of 3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid?
3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 402.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[2-(2-methyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155861162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).