1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol

C17H17F2NO — CID 82217088

IUPAC1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
SMILESCC1Cc2ccccc2N1CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO/c1-11-8-12-4-2-3-5-16(12)20(11)10-17(21)13-6-7-14(18)15(19)9-13/h2-7,9,11,17,21H,8,10H2,1H3
InChIKeyQIDNNANUCLCZMW-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.45
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol

1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol (PubChem CID 82217088) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
PubChem CID82217088
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
SMILESCC1Cc2ccccc2N1CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO/c1-11-8-12-4-2-3-5-16(12)20(11)10-17(21)13-6-7-14(18)15(19)9-13/h2-7,9,11,17,21H,8,10H2,1H3
InChIKeyQIDNNANUCLCZMW-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
CID 82216735
2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 110897176
1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol
CID 62044766
2-methyl-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 43367603
3,3,3-trifluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]propanethioamide
CID 103368487
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid
CID 63067031
4-fluoro-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarbothioamide
CID 43096906
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
N-[1-(4-chlorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 42883636
(2R)-1-[4-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95309106
1-cyclopentyl-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 113447993

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol (CID 82217088) is 1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol is CC1Cc2ccccc2N1CC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol?
The InChIKey is QIDNNANUCLCZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-11-8-12-4-2-3-5-16(12)20(11)10-17(21)13-6-7-14(18)15(19)9-13/h2-7,9,11,17,21H,8,10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol?
1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol has a molecular weight of 289.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol is sourced from PubChem (CID 82217088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).