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

C15H10ClF6NO — CID 162383368

IUPAC1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(-c3ccc(F)c(Cl)c3)c2CCC1(F)F
InChIInChI=1S/C15H10ClF6NO/c16-9-5-7(1-2-10(9)17)23-6-8(15(20,21)22)12-11(23)3-4-14(18,19)13(12)24/h1-2,5-6,13,24H,3-4H2
InChIKeyHWNVNQKNKSAKPV-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.90
Rot. Bonds1

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

1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (PubChem CID 162383368) has the molecular formula C15H10ClF6NO and a molecular weight of 369.69 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
PubChem CID162383368
Molecular FormulaC15H10ClF6NO
Molecular Weight369.69 g/mol
Exact Mass369.04
IUPAC Name1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(-c3ccc(F)c(Cl)c3)c2CCC1(F)F
InChIInChI=1S/C15H10ClF6NO/c16-9-5-7(1-2-10(9)17)23-6-8(15(20,21)22)12-11(23)3-4-14(18,19)13(12)24/h1-2,5-6,13,24H,3-4H2
InChIKeyHWNVNQKNKSAKPV-UHFFFAOYSA-N
XLogP4.90
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

[1-(2-Chloro-benzyl)-1H-indol-3-yl]-methanol
CID 893119
1H-Indole-3-methanol, 1-[(4-chlorophenyl)methyl]-
CID 11821732
{1-[(3-Chlorophenyl)methyl]-1H-indol-3-yl}methanol
CID 13288729
[1-[(4-Chlorophenyl)methyl]-5-fluoroindol-3-yl]methanol
CID 52951097
[5-Chloro-1-[(3-fluorophenyl)methyl]indol-3-yl]methanol
CID 52951096
[1-[(4-Chlorophenyl)methyl]-6-fluoroindol-3-yl]methanol
CID 52951098
1-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-propan-1-ol
CID 44297095
1-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-ethanol
CID 44297364
5,6-Difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 162383497
1-[1-[(4-Chlorophenyl)methyl]indol-3-yl]ethanol
CID 10859073
[5-Chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol
CID 155514006
US20250042853, Example 33
CID 168252453

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (CID 162383368) is 1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is OC1c2c(C(F)(F)F)cn(-c3ccc(F)c(Cl)c3)c2CCC1(F)F.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The InChIKey is HWNVNQKNKSAKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF6NO/c16-9-5-7(1-2-10(9)17)23-6-8(15(20,21)22)12-11(23)3-4-14(18,19)13(12)24/h1-2,5-6,13,24H,3-4H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol has a molecular weight of 369.69 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 162383368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).