4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one

C19H25F3N2O2 — CID 167762881

IUPAC4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCC(C)[C@H](NC1CCC2(CC1)C(=O)Nc1ccccc12)[C@H](O)C(F)(F)F
InChIInChI=1S/C19H25F3N2O2/c1-11(2)15(16(25)19(20,21)22)23-12-7-9-18(10-8-12)13-5-3-4-6-14(13)24-17(18)26/h3-6,11-12,15-16,23,25H,7-10H2,1-2H3,(H,24,26)/t12?,15-,16-,18?/m0/s1
InChIKeyFHIHDGQMYPHYPI-WVLMQXSCSA-N
MW370.42 g/mol
LogP3.36
Rot. Bonds4

About 4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one

4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 167762881) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID167762881
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCC(C)[C@H](NC1CCC2(CC1)C(=O)Nc1ccccc12)[C@H](O)C(F)(F)F
InChIInChI=1S/C19H25F3N2O2/c1-11(2)15(16(25)19(20,21)22)23-12-7-9-18(10-8-12)13-5-3-4-6-14(13)24-17(18)26/h3-6,11-12,15-16,23,25H,7-10H2,1-2H3,(H,24,26)/t12?,15-,16-,18?/m0/s1
InChIKeyFHIHDGQMYPHYPI-WVLMQXSCSA-N
XLogP3.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one with MolForge

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Related Compounds

4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 136535620
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
N,N-dimethyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
CID 97449354
1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 156901883
N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide
CID 142322594
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen
CID 142322560
(3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 125183618
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
4'-[4-(aminomethyl)piperidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;bis(2,2,2-trifluoroacetic acid)
CID 166721128
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one
CID 134791223

Frequently Asked Questions

What is the IUPAC name of 4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one (CID 167762881) is 4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one is CC(C)[C@H](NC1CCC2(CC1)C(=O)Nc1ccccc12)[C@H](O)C(F)(F)F.
What is the InChIKey of 4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is FHIHDGQMYPHYPI-WVLMQXSCSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-11(2)15(16(25)19(20,21)22)23-12-7-9-18(10-8-12)13-5-3-4-6-14(13)24-17(18)26/h3-6,11-12,15-16,23,25H,7-10H2,1-2H3,(H,24,26)/t12?,15-,16-,18?/m0/s1.
What are the key properties of 4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 370.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 167762881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).