1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

C16H12ClF6NO — CID 162383334

IUPAC1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(Cc3cc(F)cc(Cl)c3)c2CCC1(F)F
InChIInChI=1S/C16H12ClF6NO/c17-9-3-8(4-10(18)5-9)6-24-7-11(16(21,22)23)13-12(24)1-2-15(19,20)14(13)25/h3-5,7,14,25H,1-2,6H2
InChIKeyZLCYJHSPFMVCOR-UHFFFAOYSA-N
MW383.72 g/mol
LogP4.96
Rot. Bonds2

About 1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (PubChem CID 162383334) has the molecular formula C16H12ClF6NO and a molecular weight of 383.72 g/mol. Its IUPAC name is 1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
PubChem CID162383334
Molecular FormulaC16H12ClF6NO
Molecular Weight383.72 g/mol
Exact Mass383.05
IUPAC Name1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(Cc3cc(F)cc(Cl)c3)c2CCC1(F)F
InChIInChI=1S/C16H12ClF6NO/c17-9-3-8(4-10(18)5-9)6-24-7-11(16(21,22)23)13-12(24)1-2-15(19,20)14(13)25/h3-5,7,14,25H,1-2,6H2
InChIKeyZLCYJHSPFMVCOR-UHFFFAOYSA-N
XLogP4.96
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.72
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (CID 162383334) is 1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is OC1c2c(C(F)(F)F)cn(Cc3cc(F)cc(Cl)c3)c2CCC1(F)F.
What is the InChIKey of 1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The InChIKey is ZLCYJHSPFMVCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF6NO/c17-9-3-8(4-10(18)5-9)6-24-7-11(16(21,22)23)13-12(24)1-2-15(19,20)14(13)25/h3-5,7,14,25H,1-2,6H2.
What are the key properties of 1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol has a molecular weight of 383.72 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 162383334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).