2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol

C13H14F3NO — CID 24818822

IUPAC2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol
SMILESCc1c(C(C)(C)O)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C13H14F3NO/c1-7-9-6-8(13(14,15)16)4-5-10(9)17-11(7)12(2,3)18/h4-6,17-18H,1-3H3
InChIKeyZTXSFWTZCPEPQQ-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.72
Rot. Bonds1

About 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol

2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol (PubChem CID 24818822) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol
PubChem CID24818822
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol
SMILESCc1c(C(C)(C)O)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C13H14F3NO/c1-7-9-6-8(13(14,15)16)4-5-10(9)17-11(7)12(2,3)18/h4-6,17-18H,1-3H3
InChIKeyZTXSFWTZCPEPQQ-UHFFFAOYSA-N
XLogP3.72
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

CID 607542
CID 607542
CID 98783
CID 98783
CID 121232387
CID 121232387
CID 21318138
CID 21318138
CID 52943808
CID 52943808
CID 659192
CID 659192
CID 10378448
CID 10378448
CID 24792662
CID 24792662
CID 24792664
CID 24792664
CID 24818824
CID 24818824
CID 24818826
CID 24818826
CID 24819162
CID 24819162

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol (CID 24818822) is 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol is Cc1c(C(C)(C)O)[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol?
The InChIKey is ZTXSFWTZCPEPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-7-9-6-8(13(14,15)16)4-5-10(9)17-11(7)12(2,3)18/h4-6,17-18H,1-3H3.
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol?
2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol has a molecular weight of 257.25 g/mol, XLogP of 3.72, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol is sourced from PubChem (CID 24818822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).