3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one

C12H13F3N2O3 — CID 107481112

IUPAC3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N(CCO)CC(F)(F)F)ccc2C1O
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)6-17(3-4-18)7-1-2-8-9(5-7)16-11(20)10(8)19/h1-2,5,10,18-19H,3-4,6H2,(H,16,20)
InChIKeyOYOWWCQGZZRXNT-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.03
Rot. Bonds4

About 3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one

3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one (PubChem CID 107481112) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
PubChem CID107481112
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N(CCO)CC(F)(F)F)ccc2C1O
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)6-17(3-4-18)7-1-2-8-9(5-7)16-11(20)10(8)19/h1-2,5,10,18-19H,3-4,6H2,(H,16,20)
InChIKeyOYOWWCQGZZRXNT-UHFFFAOYSA-N
XLogP1.03
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586692
6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586583
3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one
CID 61424784
3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one
CID 107480513
3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one
CID 112661697
6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586683
6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 55010245
3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 63007655
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 79336625
6-(N-ethyl-3-methylanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 61075160
3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one
CID 43586724

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one (CID 107481112) is 3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one is O=C1Nc2cc(N(CCO)CC(F)(F)F)ccc2C1O.
What is the InChIKey of 3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is OYOWWCQGZZRXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)6-17(3-4-18)7-1-2-8-9(5-7)16-11(20)10(8)19/h1-2,5,10,18-19H,3-4,6H2,(H,16,20).
What are the key properties of 3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one?
3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 290.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 107481112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).