1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol

C15H15F4NO — CID 176622207

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol
SMILESOC1CCCC2=C1CCN2c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F4NO/c16-12-5-4-9(8-11(12)15(17,18)19)20-7-6-10-13(20)2-1-3-14(10)21/h4-5,8,14,21H,1-3,6-7H2
InChIKeyMMKUVYHNNJDTGK-UHFFFAOYSA-N
MW301.28 g/mol
LogP3.85
Rot. Bonds1

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol (PubChem CID 176622207) has the molecular formula C15H15F4NO and a molecular weight of 301.28 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol
PubChem CID176622207
Molecular FormulaC15H15F4NO
Molecular Weight301.28 g/mol
Exact Mass301.11
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol
SMILESOC1CCCC2=C1CCN2c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F4NO/c16-12-5-4-9(8-11(12)15(17,18)19)20-7-6-10-13(20)2-1-3-14(10)21/h4-5,8,14,21H,1-3,6-7H2
InChIKeyMMKUVYHNNJDTGK-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine
CID 61228821
2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 107289990
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513094
1-(3,5-difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 162383373
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 60589048
1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine
CID 139958043
2-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine
CID 64933076
2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399751
[(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
CID 143518892
1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol
CID 64853598
1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 75218836

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol (CID 176622207) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol is OC1CCCC2=C1CCN2c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol?
The InChIKey is MMKUVYHNNJDTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4NO/c16-12-5-4-9(8-11(12)15(17,18)19)20-7-6-10-13(20)2-1-3-14(10)21/h4-5,8,14,21H,1-3,6-7H2.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol has a molecular weight of 301.28 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydroindol-4-ol is sourced from PubChem (CID 176622207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).