5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

C14H11F5N2O — CID 162383431

IUPAC5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(-c3ccncc3)c2CCC1(F)F
InChIInChI=1S/C14H11F5N2O/c15-13(16)4-1-10-11(12(13)22)9(14(17,18)19)7-21(10)8-2-5-20-6-3-8/h2-3,5-7,12,22H,1,4H2
InChIKeyJOTYLYOHFYNKJK-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.51
Rot. Bonds1

About 5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (PubChem CID 162383431) has the molecular formula C14H11F5N2O and a molecular weight of 318.25 g/mol. Its IUPAC name is 5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
PubChem CID162383431
Molecular FormulaC14H11F5N2O
Molecular Weight318.25 g/mol
Exact Mass318.08
IUPAC Name5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(-c3ccncc3)c2CCC1(F)F
InChIInChI=1S/C14H11F5N2O/c15-13(16)4-1-10-11(12(13)22)9(14(17,18)19)7-21(10)8-2-5-20-6-3-8/h2-3,5-7,12,22H,1,4H2
InChIKeyJOTYLYOHFYNKJK-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The IUPAC name of 5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (CID 162383431) is 5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is OC1c2c(C(F)(F)F)cn(-c3ccncc3)c2CCC1(F)F.
What is the InChIKey of 5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The InChIKey is JOTYLYOHFYNKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N2O/c15-13(16)4-1-10-11(12(13)22)9(14(17,18)19)7-21(10)8-2-5-20-6-3-8/h2-3,5-7,12,22H,1,4H2.
What are the key properties of 5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol has a molecular weight of 318.25 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-pyridin-4-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 162383431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).