2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol

C14H18FNO2 — CID 24819161

IUPAC2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol
SMILESCC(C)(O)c1[nH]c2cc(F)ccc2c1C(C)(C)O
InChIInChI=1S/C14H18FNO2/c1-13(2,17)11-9-6-5-8(15)7-10(9)16-12(11)14(3,4)18/h5-7,16-18H,1-4H3
InChIKeyPPNPNUKMPQCJOG-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.76
Rot. Bonds2

About 2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol

2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol (PubChem CID 24819161) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol
PubChem CID24819161
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol
SMILESCC(C)(O)c1[nH]c2cc(F)ccc2c1C(C)(C)O
InChIInChI=1S/C14H18FNO2/c1-13(2,17)11-9-6-5-8(15)7-10(9)16-12(11)14(3,4)18/h5-7,16-18H,1-4H3
InChIKeyPPNPNUKMPQCJOG-UHFFFAOYSA-N
XLogP2.76
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Fistulosin
CID 11574561
(1H-indol-2-yl)methanol
CID 98783
1-Hydroxy-1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carbonitrile
CID 52943808
1H-Indole-3-ethanol, 2-methyl-
CID 659192
4-fluoro-2-methyl-1H-indol-5-ol
CID 10352036
2-(3-methyl-6-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24792664
2-(3-methyl-5-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24818822
2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 24818824
(1S)-1-[6-fluoranyl-2-[(1S)-1-oxidanylethyl]-1H-indol-3-yl]ethanol
CID 24818826
2,3-bis(2-hydroxypropan-2-yl)-1H-indole-5-carbonitrile
CID 24819162
2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol
CID 24820076
1-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol
CID 25058299

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol?
The IUPAC name of 2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol (CID 24819161) is 2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol?
The canonical SMILES for 2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol is CC(C)(O)c1[nH]c2cc(F)ccc2c1C(C)(C)O.
What is the InChIKey of 2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol?
The InChIKey is PPNPNUKMPQCJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-13(2,17)11-9-6-5-8(15)7-10(9)16-12(11)14(3,4)18/h5-7,16-18H,1-4H3.
What are the key properties of 2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol?
2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol has a molecular weight of 251.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propan-2-ol is sourced from PubChem (CID 24819161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).