2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol

C14H16F3NO — CID 117122078

IUPAC2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol
SMILESCn1cc(CC(C)(C)O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H16F3NO/c1-13(2,19)7-9-8-18(3)12-6-10(14(15,16)17)4-5-11(9)12/h4-6,8,19H,7H2,1-3H3
InChIKeyQFEZDLWKJOIHAR-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.51
Rot. Bonds2

About 2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol

2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol (PubChem CID 117122078) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol
PubChem CID117122078
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol
SMILESCn1cc(CC(C)(C)O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H16F3NO/c1-13(2,19)7-9-8-18(3)12-6-10(14(15,16)17)4-5-11(9)12/h4-6,8,19H,7H2,1-3H3
InChIKeyQFEZDLWKJOIHAR-UHFFFAOYSA-N
XLogP3.51
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol (CID 117122078) is 2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol is Cn1cc(CC(C)(C)O)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol?
The InChIKey is QFEZDLWKJOIHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-13(2,19)7-9-8-18(3)12-6-10(14(15,16)17)4-5-11(9)12/h4-6,8,19H,7H2,1-3H3.
What are the key properties of 2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol?
2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol has a molecular weight of 271.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol is sourced from PubChem (CID 117122078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).