3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one

C18H14F4N2O2 — CID 178162009

IUPAC3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(c1ccc(O)cc1)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C18H14F4N2O2/c19-16(20)9-24(10-17(16,21)22)18(11-5-7-12(25)8-6-11)13-3-1-2-4-14(13)23-15(18)26/h1-8,25H,9-10H2,(H,23,26)
InChIKeyDTIQWIAGPNYAFT-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.17
Rot. Bonds2

About 3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one

3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one (PubChem CID 178162009) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one
PubChem CID178162009
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(c1ccc(O)cc1)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C18H14F4N2O2/c19-16(20)9-24(10-17(16,21)22)18(11-5-7-12(25)8-6-11)13-3-1-2-4-14(13)23-15(18)26/h1-8,25H,9-10H2,(H,23,26)
InChIKeyDTIQWIAGPNYAFT-UHFFFAOYSA-N
XLogP3.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-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

Related Compounds

[4-[2-oxo-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-7-(trifluoromethyl)-1H-indol-3-yl]phenyl] acetate
CID 178162018
3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one
CID 57254489
3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine
CID 88715344
acetyl chloride;benzene-1,4-dicarbonyl chloride;3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;4-[bis(4-hydroxyphenyl)-tritiomethyl]phenol;ethane
CID 158815113
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
CID 11559077
4-[1,3,3-tris(4-hydroxyphenyl)-2-phenylisoindol-1-yl]phenol
CID 70880045
(3R)-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
CID 7102076
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one
CID 178047804
(5R,6R,7S,8S)-6-(4-fluorophenyl)-7-(4-hydroxybenzoyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 171391942
1'-(morpholine-4-carbonyl)spiro[1H-indole-3,3'-azetidine]-2-one
CID 126545042

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one?
The IUPAC name of 3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one (CID 178162009) is 3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one is O=C1Nc2ccccc2C1(c1ccc(O)cc1)N1CC(F)(F)C(F)(F)C1.
What is the InChIKey of 3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one?
The InChIKey is DTIQWIAGPNYAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c19-16(20)9-24(10-17(16,21)22)18(11-5-7-12(25)8-6-11)13-3-1-2-4-14(13)23-15(18)26/h1-8,25H,9-10H2,(H,23,26).
What are the key properties of 3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one?
3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one has a molecular weight of 366.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one is sourced from PubChem (CID 178162009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).