1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol

C16H13F6NO — CID 162383383

IUPAC1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1c(C(F)(F)F)cn2-c1ccc(F)c(C(F)F)c1
InChIInChI=1S/C16H13F6NO/c17-11-5-4-8(6-9(11)15(18)19)23-7-10(16(20,21)22)14-12(23)2-1-3-13(14)24/h4-7,13,15,24H,1-3H2
InChIKeyHCEKBNQYTJYPLR-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.94
Rot. Bonds2

About 1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol

1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 162383383) has the molecular formula C16H13F6NO and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID162383383
Molecular FormulaC16H13F6NO
Molecular Weight349.27 g/mol
Exact Mass349.09
IUPAC Name1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1c(C(F)(F)F)cn2-c1ccc(F)c(C(F)F)c1
InChIInChI=1S/C16H13F6NO/c17-11-5-4-8(6-9(11)15(18)19)23-7-10(16(20,21)22)14-12(23)2-1-3-13(14)24/h4-7,13,15,24H,1-3H2
InChIKeyHCEKBNQYTJYPLR-UHFFFAOYSA-N
XLogP4.94
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-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

Related Compounds

(1-methyl-1H-indol-4-yl)methanol
CID 17608739
2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
(1-Benzyl-1h-indol-3-yl)methanol
CID 402633
[1-[[3-(Trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
CID 16738801
[1-[(4-Fluorophenyl)methyl]indol-3-yl]methanol
CID 15312694
[1-[(3-Fluorophenyl)methyl]indol-3-yl]methanol
CID 20109672
[1-[(3-Iodophenyl)methyl]indol-3-yl]methanol
CID 52950959
[5-Fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
CID 52951101
{1-[4-(trifluoromethyl)benzyl]-1H-indol-3-yl}methanol
CID 52950960
(2R,3S)-1-[3-(2-hydroxyethyl)indol-1-yl]-2-methyl-4-methylidenenonan-3-ol
CID 57406608
(5-Fluoro-1-methylindol-3-yl)methanol
CID 52951095
3-Hydroxymethyl-1-methylindole
CID 23406

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol (CID 162383383) is 1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol is OC1CCCc2c1c(C(F)(F)F)cn2-c1ccc(F)c(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is HCEKBNQYTJYPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6NO/c17-11-5-4-8(6-9(11)15(18)19)23-7-10(16(20,21)22)14-12(23)2-1-3-13(14)24/h4-7,13,15,24H,1-3H2.
What are the key properties of 1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 349.27 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-4-fluorophenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 162383383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).