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

C15H18F3NO — CID 117122087

IUPAC2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol
SMILESCC(CO)c1cn(C(C)C)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H18F3NO/c1-9(2)19-7-13(10(3)8-20)12-5-4-11(6-14(12)19)15(16,17)18/h4-7,9-10,20H,8H2,1-3H3
InChIKeyCGDHIYSSVJNXIX-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.34
Rot. Bonds3

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

2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol (PubChem CID 117122087) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol
PubChem CID117122087
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol
SMILESCC(CO)c1cn(C(C)C)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H18F3NO/c1-9(2)19-7-13(10(3)8-20)12-5-4-11(6-14(12)19)15(16,17)18/h4-7,9-10,20H,8H2,1-3H3
InChIKeyCGDHIYSSVJNXIX-UHFFFAOYSA-N
XLogP4.34
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol?
The IUPAC name of 2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol (CID 117122087) is 2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol.
What is the SMILES notation for 2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol?
The canonical SMILES for 2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol is CC(CO)c1cn(C(C)C)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol?
The InChIKey is CGDHIYSSVJNXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-9(2)19-7-13(10(3)8-20)12-5-4-11(6-14(12)19)15(16,17)18/h4-7,9-10,20H,8H2,1-3H3.
What are the key properties of 2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol?
2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol has a molecular weight of 285.31 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol is sourced from PubChem (CID 117122087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).