[1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol

C12H12F3NO — CID 117122614

IUPAC[1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol
SMILESCCn1c(CO)cc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H12F3NO/c1-2-16-10(7-17)5-8-3-4-9(6-11(8)16)12(13,14)15/h3-6,17H,2,7H2,1H3
InChIKeyPFAGAYUGTQGDAQ-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.17
Rot. Bonds2

About [1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol

[1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol (PubChem CID 117122614) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is [1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol
PubChem CID117122614
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name[1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol
SMILESCCn1c(CO)cc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H12F3NO/c1-2-16-10(7-17)5-8-3-4-9(6-11(8)16)12(13,14)15/h3-6,17H,2,7H2,1H3
InChIKeyPFAGAYUGTQGDAQ-UHFFFAOYSA-N
XLogP3.17
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol?
The IUPAC name of [1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol (CID 117122614) is [1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol.
What is the SMILES notation for [1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol?
The canonical SMILES for [1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol is CCn1c(CO)cc2ccc(C(F)(F)F)cc21.
What is the InChIKey of [1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol?
The InChIKey is PFAGAYUGTQGDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-2-16-10(7-17)5-8-3-4-9(6-11(8)16)12(13,14)15/h3-6,17H,2,7H2,1H3.
What are the key properties of [1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol?
[1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol has a molecular weight of 243.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol is sourced from PubChem (CID 117122614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).