1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione

C14H14F3NO7 — CID 156828436

IUPAC1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione
SMILESCC(O)OCOC(O)CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C14H14F3NO7/c1-7(19)23-6-24-11(20)5-18-10-3-2-8(25-14(15,16)17)4-9(10)12(21)13(18)22/h2-4,7,11,19-20H,5-6H2,1H3
InChIKeySUWKKMAQWYJPRV-UHFFFAOYSA-N
MW365.26 g/mol
LogP0.76
Rot. Bonds7

About 1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione

1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione (PubChem CID 156828436) has the molecular formula C14H14F3NO7 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione.

Molecular Properties

Compound Name1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione
PubChem CID156828436
Molecular FormulaC14H14F3NO7
Molecular Weight365.26 g/mol
Exact Mass365.07
IUPAC Name1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione
SMILESCC(O)OCOC(O)CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C14H14F3NO7/c1-7(19)23-6-24-11(20)5-18-10-3-2-8(25-14(15,16)17)4-9(10)12(21)13(18)22/h2-4,7,11,19-20H,5-6H2,1H3
InChIKeySUWKKMAQWYJPRV-UHFFFAOYSA-N
XLogP0.76
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[hydroxy(methoxy)methoxy]methoxy]-2-methoxyethyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 156828507
[2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate
CID 156828434
ethyl 2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]propanoate
CID 129218566
1-[(4-phenoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 44602489
1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 68850884
1-[[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 46945663
2-propan-2-yl-5-(trifluoromethoxy)-3H-isoindol-1-one
CID 172605277
trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63702848
1-(2,3-dihydroxypropyl)-5-ethylindole-2,3-dione
CID 82850558
5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
1-(3,3-dimethyl-2-oxobutyl)-5-methoxyindole-2,3-dione
CID 62023855

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione?
The IUPAC name of 1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione (CID 156828436) is 1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione.
What is the SMILES notation for 1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione?
The canonical SMILES for 1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione is CC(O)OCOC(O)CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione?
The InChIKey is SUWKKMAQWYJPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO7/c1-7(19)23-6-24-11(20)5-18-10-3-2-8(25-14(15,16)17)4-9(10)12(21)13(18)22/h2-4,7,11,19-20H,5-6H2,1H3.
What are the key properties of 1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione?
1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione has a molecular weight of 365.26 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(1-hydroxyethoxymethoxy)ethyl]-5-(trifluoromethoxy)indole-2,3-dione is sourced from PubChem (CID 156828436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).