1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol

C14H11F4NO — CID 162383366

IUPAC1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2ccn(-c3cc(F)cc(F)c3)c2CCC1(F)F
InChIInChI=1S/C14H11F4NO/c15-8-5-9(16)7-10(6-8)19-4-2-11-12(19)1-3-14(17,18)13(11)20/h2,4-7,13,20H,1,3H2
InChIKeyFARZICHMFLAREO-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.37
Rot. Bonds1

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

1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol (PubChem CID 162383366) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol
PubChem CID162383366
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2ccn(-c3cc(F)cc(F)c3)c2CCC1(F)F
InChIInChI=1S/C14H11F4NO/c15-8-5-9(16)7-10(6-8)19-4-2-11-12(19)1-3-14(17,18)13(11)20/h2,4-7,13,20H,1,3H2
InChIKeyFARZICHMFLAREO-UHFFFAOYSA-N
XLogP3.37
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.37
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)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol (CID 162383366) is 1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol is OC1c2ccn(-c3cc(F)cc(F)c3)c2CCC1(F)F.
What is the InChIKey of 1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol?
The InChIKey is FARZICHMFLAREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-8-5-9(16)7-10(6-8)19-4-2-11-12(19)1-3-14(17,18)13(11)20/h2,4-7,13,20H,1,3H2.
What are the key properties of 1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol?
1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol has a molecular weight of 285.24 g/mol, XLogP of 3.37, 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)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 162383366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).