1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol

C8H9F3N2O — CID 66141879

IUPAC1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cncn1C1CC1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7(14)6-3-12-4-13(6)5-1-2-5/h3-5,7,14H,1-2H2
InChIKeyDHLDHQOGBCBBMA-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.81
Rot. Bonds2

About 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol

1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol (PubChem CID 66141879) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol
PubChem CID66141879
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cncn1C1CC1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7(14)6-3-12-4-13(6)5-1-2-5/h3-5,7,14H,1-2H2
InChIKeyDHLDHQOGBCBBMA-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol (CID 66141879) is 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol is OC(c1cncn1C1CC1)C(F)(F)F.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol?
The InChIKey is DHLDHQOGBCBBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)7(14)6-3-12-4-13(6)5-1-2-5/h3-5,7,14H,1-2H2.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol?
1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol has a molecular weight of 206.17 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 66141879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).