1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol

C15H10ClF6NO — CID 162383338

IUPAC1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(-c3cc(F)cc(Cl)c3)c2CC(F)C1F
InChIInChI=1S/C15H10ClF6NO/c16-6-1-7(17)3-8(2-6)23-5-9(15(20,21)22)12-11(23)4-10(18)13(19)14(12)24/h1-3,5,10,13-14,24H,4H2
InChIKeyDCTDHRBRZDQVLW-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.55
Rot. Bonds1

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

1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 162383338) has the molecular formula C15H10ClF6NO and a molecular weight of 369.69 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID162383338
Molecular FormulaC15H10ClF6NO
Molecular Weight369.69 g/mol
Exact Mass369.04
IUPAC Name1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(-c3cc(F)cc(Cl)c3)c2CC(F)C1F
InChIInChI=1S/C15H10ClF6NO/c16-6-1-7(17)3-8(2-6)23-5-9(15(20,21)22)12-11(23)4-10(18)13(19)14(12)24/h1-3,5,10,13-14,24H,4H2
InChIKeyDCTDHRBRZDQVLW-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol (CID 162383338) is 1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol is OC1c2c(C(F)(F)F)cn(-c3cc(F)cc(Cl)c3)c2CC(F)C1F.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is DCTDHRBRZDQVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF6NO/c16-6-1-7(17)3-8(2-6)23-5-9(15(20,21)22)12-11(23)4-10(18)13(19)14(12)24/h1-3,5,10,13-14,24H,4H2.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
1-(3-chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 369.69 g/mol, XLogP of 4.55, 1 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)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 162383338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).