2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone

C9H10F3N3O2 — CID 62581597

IUPAC2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone
SMILESO=C(c1cn(C2CCCC2O)nn1)C(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)8(17)5-4-15(14-13-5)6-2-1-3-7(6)16/h4,6-7,16H,1-3H2
InChIKeyGSTAQRLJDIHUJM-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.11
Rot. Bonds2

About 2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone

2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone (PubChem CID 62581597) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone
PubChem CID62581597
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone
SMILESO=C(c1cn(C2CCCC2O)nn1)C(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)8(17)5-4-15(14-13-5)6-2-1-3-7(6)16/h4,6-7,16H,1-3H2
InChIKeyGSTAQRLJDIHUJM-UHFFFAOYSA-N
XLogP1.11
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone (CID 62581597) is 2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone is O=C(c1cn(C2CCCC2O)nn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone?
The InChIKey is GSTAQRLJDIHUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)8(17)5-4-15(14-13-5)6-2-1-3-7(6)16/h4,6-7,16H,1-3H2.
What are the key properties of 2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone has a molecular weight of 249.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(2-hydroxycyclopentyl)triazol-4-yl]ethanone is sourced from PubChem (CID 62581597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).