1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol

C14H12F3NO — CID 62813278

IUPAC1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H12F3NO/c15-10-6-8(7-11(16)14(10)17)18-5-4-9-12(18)2-1-3-13(9)19/h4-7,13,19H,1-3H2
InChIKeyIHNIGRSETJKRHW-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.26
Rot. Bonds1

About 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol

1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 62813278) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID62813278
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H12F3NO/c15-10-6-8(7-11(16)14(10)17)18-5-4-9-12(18)2-1-3-13(9)19/h4-7,13,19H,1-3H2
InChIKeyIHNIGRSETJKRHW-UHFFFAOYSA-N
XLogP3.26
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol (CID 62813278) is 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol is OC1CCCc2c1ccn2-c1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is IHNIGRSETJKRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-10-6-8(7-11(16)14(10)17)18-5-4-9-12(18)2-1-3-13(9)19/h4-7,13,19H,1-3H2.
What are the key properties of 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol?
1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 267.25 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 62813278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).