5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one

C14H15F3N2O — CID 176896833

IUPAC5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one
SMILESCN1C(=O)C2(CCC(F)(F)CC2)c2cc(N)cc(F)c21
InChIInChI=1S/C14H15F3N2O/c1-19-11-9(6-8(18)7-10(11)15)13(12(19)20)2-4-14(16,17)5-3-13/h6-7H,2-5,18H2,1H3
InChIKeyVTVFMXYYHCNPDA-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.83
Rot. Bonds

About 5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one

5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one (PubChem CID 176896833) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one
PubChem CID176896833
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one
SMILESCN1C(=O)C2(CCC(F)(F)CC2)c2cc(N)cc(F)c21
InChIInChI=1S/C14H15F3N2O/c1-19-11-9(6-8(18)7-10(11)15)13(12(19)20)2-4-14(16,17)5-3-13/h6-7H,2-5,18H2,1H3
InChIKeyVTVFMXYYHCNPDA-UHFFFAOYSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one?
The IUPAC name of 5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one (CID 176896833) is 5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one.
What is the SMILES notation for 5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one?
The canonical SMILES for 5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one is CN1C(=O)C2(CCC(F)(F)CC2)c2cc(N)cc(F)c21.
What is the InChIKey of 5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one?
The InChIKey is VTVFMXYYHCNPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-19-11-9(6-8(18)7-10(11)15)13(12(19)20)2-4-14(16,17)5-3-13/h6-7H,2-5,18H2,1H3.
What are the key properties of 5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one?
5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one has a molecular weight of 284.28 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-amino-4,4,7'-trifluoro-1'-methylspiro[cyclohexane-1,3'-indole]-2'-one is sourced from PubChem (CID 176896833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).