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

C14H10F6N2O — CID 162383487

IUPAC5,5-difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(-c3cncc(F)c3)c2CCC1(F)F
InChIInChI=1S/C14H10F6N2O/c15-7-3-8(5-21-4-7)22-6-9(14(18,19)20)11-10(22)1-2-13(16,17)12(11)23/h3-6,12,23H,1-2H2
InChIKeyDTPXVUPFQLCXHC-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.65
Rot. Bonds1

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

5,5-difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (PubChem CID 162383487) has the molecular formula C14H10F6N2O and a molecular weight of 336.24 g/mol. Its IUPAC name is 5,5-difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name5,5-difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
PubChem CID162383487
Molecular FormulaC14H10F6N2O
Molecular Weight336.24 g/mol
Exact Mass336.07
IUPAC Name5,5-difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(-c3cncc(F)c3)c2CCC1(F)F
InChIInChI=1S/C14H10F6N2O/c15-7-3-8(5-21-4-7)22-6-9(14(18,19)20)11-10(22)1-2-13(16,17)12(11)23/h3-6,12,23H,1-2H2
InChIKeyDTPXVUPFQLCXHC-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.65
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-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The IUPAC name of 5,5-difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (CID 162383487) is 5,5-difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 5,5-difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 5,5-difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is OC1c2c(C(F)(F)F)cn(-c3cncc(F)c3)c2CCC1(F)F.
What is the InChIKey of 5,5-difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The InChIKey is DTPXVUPFQLCXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O/c15-7-3-8(5-21-4-7)22-6-9(14(18,19)20)11-10(22)1-2-13(16,17)12(11)23/h3-6,12,23H,1-2H2.
What are the key properties of 5,5-difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
5,5-difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol has a molecular weight of 336.24 g/mol, XLogP of 3.65, 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-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 162383487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).