[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol

C12H12F3NO — CID 122447050

IUPAC[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol
SMILESCc1c(CO)c2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C12H12F3NO/c1-7-10(6-17)9-5-8(12(13,14)15)3-4-11(9)16(7)2/h3-5,17H,6H2,1-2H3
InChIKeyNOWPDTFZACCCMM-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.00
Rot. Bonds1

About [1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol

[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol (PubChem CID 122447050) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is [1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol.

Molecular Properties

Compound Name[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol
PubChem CID122447050
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol
SMILESCc1c(CO)c2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C12H12F3NO/c1-7-10(6-17)9-5-8(12(13,14)15)3-4-11(9)16(7)2/h3-5,17H,6H2,1-2H3
InChIKeyNOWPDTFZACCCMM-UHFFFAOYSA-N
XLogP3.00
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol?
The IUPAC name of [1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol (CID 122447050) is [1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol.
What is the SMILES notation for [1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol?
The canonical SMILES for [1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol is Cc1c(CO)c2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of [1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol?
The InChIKey is NOWPDTFZACCCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-7-10(6-17)9-5-8(12(13,14)15)3-4-11(9)16(7)2/h3-5,17H,6H2,1-2H3.
What are the key properties of [1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol?
[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol has a molecular weight of 243.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]methanol is sourced from PubChem (CID 122447050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).