1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol

C13H14F3NO — CID 117119526

IUPAC1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol
SMILESCC(O)Cc1cn(C)c2cccc(C(F)(F)F)c12
InChIInChI=1S/C13H14F3NO/c1-8(18)6-9-7-17(2)11-5-3-4-10(12(9)11)13(14,15)16/h3-5,7-8,18H,6H2,1-2H3
InChIKeyBCHMNNASNBENCB-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.12
Rot. Bonds2

About 1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol

1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol (PubChem CID 117119526) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol
PubChem CID117119526
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol
SMILESCC(O)Cc1cn(C)c2cccc(C(F)(F)F)c12
InChIInChI=1S/C13H14F3NO/c1-8(18)6-9-7-17(2)11-5-3-4-10(12(9)11)13(14,15)16/h3-5,7-8,18H,6H2,1-2H3
InChIKeyBCHMNNASNBENCB-UHFFFAOYSA-N
XLogP3.12
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol?
The IUPAC name of 1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol (CID 117119526) is 1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol.
What is the SMILES notation for 1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol?
The canonical SMILES for 1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol is CC(O)Cc1cn(C)c2cccc(C(F)(F)F)c12.
What is the InChIKey of 1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol?
The InChIKey is BCHMNNASNBENCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-8(18)6-9-7-17(2)11-5-3-4-10(12(9)11)13(14,15)16/h3-5,7-8,18H,6H2,1-2H3.
What are the key properties of 1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol?
1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol has a molecular weight of 257.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol is sourced from PubChem (CID 117119526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).