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

C15H12F5NO — CID 162383373

IUPAC1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1c(C(F)(F)F)cn2-c1cc(F)cc(F)c1
InChIInChI=1S/C15H12F5NO/c16-8-4-9(17)6-10(5-8)21-7-11(15(18,19)20)14-12(21)2-1-3-13(14)22/h4-7,13,22H,1-3H2
InChIKeyJQPIJXGXGZVAAE-UHFFFAOYSA-N
MW317.26 g/mol
LogP4.14
Rot. Bonds1

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

1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 162383373) has the molecular formula C15H12F5NO and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID162383373
Molecular FormulaC15H12F5NO
Molecular Weight317.26 g/mol
Exact Mass317.08
IUPAC Name1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1c(C(F)(F)F)cn2-c1cc(F)cc(F)c1
InChIInChI=1S/C15H12F5NO/c16-8-4-9(17)6-10(5-8)21-7-11(15(18,19)20)14-12(21)2-1-3-13(14)22/h4-7,13,22H,1-3H2
InChIKeyJQPIJXGXGZVAAE-UHFFFAOYSA-N
XLogP4.14
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol (CID 162383373) is 1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol is OC1CCCc2c1c(C(F)(F)F)cn2-c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is JQPIJXGXGZVAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5NO/c16-8-4-9(17)6-10(5-8)21-7-11(15(18,19)20)14-12(21)2-1-3-13(14)22/h4-7,13,22H,1-3H2.
What are the key properties of 1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 317.26 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 162383373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).