2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol

C8H11F3N2O — CID 66130454

IUPAC2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol
SMILESCCCn1cncc1C(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-2-3-13-5-12-4-6(13)7(14)8(9,10)11/h4-5,7,14H,2-3H2,1H3
InChIKeyGRSJVMBQLHJQDU-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.89
Rot. Bonds3

About 2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol

2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol (PubChem CID 66130454) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol
PubChem CID66130454
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol
SMILESCCCn1cncc1C(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-2-3-13-5-12-4-6(13)7(14)8(9,10)11/h4-5,7,14H,2-3H2,1H3
InChIKeyGRSJVMBQLHJQDU-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol (CID 66130454) is 2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol is CCCn1cncc1C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol?
The InChIKey is GRSJVMBQLHJQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-3-13-5-12-4-6(13)7(14)8(9,10)11/h4-5,7,14H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol?
2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol has a molecular weight of 208.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-propylimidazol-4-yl)ethanol is sourced from PubChem (CID 66130454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).