1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol

C14H12F3NO — CID 88619781

IUPAC1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol
SMILESC#CCn1c(C(F)(F)F)c(C(C)O)c2ccccc21
InChIInChI=1S/C14H12F3NO/c1-3-8-18-11-7-5-4-6-10(11)12(9(2)19)13(18)14(15,16)17/h1,4-7,9,19H,8H2,2H3
InChIKeyLJJYADVSHGXEOE-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.35
Rot. Bonds2

About 1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol

1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol (PubChem CID 88619781) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol
PubChem CID88619781
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol
SMILESC#CCn1c(C(F)(F)F)c(C(C)O)c2ccccc21
InChIInChI=1S/C14H12F3NO/c1-3-8-18-11-7-5-4-6-10(11)12(9(2)19)13(18)14(15,16)17/h1,4-7,9,19H,8H2,2H3
InChIKeyLJJYADVSHGXEOE-UHFFFAOYSA-N
XLogP3.35
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol?
The IUPAC name of 1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol (CID 88619781) is 1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol.
What is the SMILES notation for 1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol?
The canonical SMILES for 1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol is C#CCn1c(C(F)(F)F)c(C(C)O)c2ccccc21.
What is the InChIKey of 1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol?
The InChIKey is LJJYADVSHGXEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-3-8-18-11-7-5-4-6-10(11)12(9(2)19)13(18)14(15,16)17/h1,4-7,9,19H,8H2,2H3.
What are the key properties of 1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol?
1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol has a molecular weight of 267.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-prop-2-ynyl-2-(trifluoromethyl)indol-3-yl]ethanol is sourced from PubChem (CID 88619781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).