1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol

C12H16FNO — CID 117198605

IUPAC1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
SMILESCC(O)CC1Cc2c(F)cccc2N1C
InChIInChI=1S/C12H16FNO/c1-8(15)6-9-7-10-11(13)4-3-5-12(10)14(9)2/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyDDKUDRVIWILDDQ-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.96
Rot. Bonds2

About 1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol

1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol (PubChem CID 117198605) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
PubChem CID117198605
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
SMILESCC(O)CC1Cc2c(F)cccc2N1C
InChIInChI=1S/C12H16FNO/c1-8(15)6-9-7-10-11(13)4-3-5-12(10)14(9)2/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyDDKUDRVIWILDDQ-UHFFFAOYSA-N
XLogP1.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198613
1-(4-methyl-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198329
1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117198684
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
CID 117198847
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
CID 117198805
1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117201059
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 83870304
1-(1,2-dimethyl-2,3-dihydroindol-4-yl)ethanol
CID 117202869
2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole
CID 14064735
(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 63371574
3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117198830

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol?
The IUPAC name of 1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol (CID 117198605) is 1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol?
The canonical SMILES for 1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol is CC(O)CC1Cc2c(F)cccc2N1C.
What is the InChIKey of 1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol?
The InChIKey is DDKUDRVIWILDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8(15)6-9-7-10-11(13)4-3-5-12(10)14(9)2/h3-5,8-9,15H,6-7H2,1-2H3.
What are the key properties of 1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol?
1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol has a molecular weight of 209.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol is sourced from PubChem (CID 117198605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).