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

C10H12F3N3O2 — CID 65212827

IUPAC2,2,2-trifluoro-1-[1-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone
SMILESO=C(c1cn(CC2(O)CCCC2)nn1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)8(17)7-5-16(15-14-7)6-9(18)3-1-2-4-9/h5,18H,1-4,6H2
InChIKeyGMUNZBZHNBBVRS-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.33
Rot. Bonds3

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

2,2,2-trifluoro-1-[1-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone (PubChem CID 65212827) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone
PubChem CID65212827
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2,2,2-trifluoro-1-[1-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone
SMILESO=C(c1cn(CC2(O)CCCC2)nn1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)8(17)7-5-16(15-14-7)6-9(18)3-1-2-4-9/h5,18H,1-4,6H2
InChIKeyGMUNZBZHNBBVRS-UHFFFAOYSA-N
XLogP1.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.33
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-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone (CID 65212827) is 2,2,2-trifluoro-1-[1-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone is O=C(c1cn(CC2(O)CCCC2)nn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone?
The InChIKey is GMUNZBZHNBBVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)8(17)7-5-16(15-14-7)6-9(18)3-1-2-4-9/h5,18H,1-4,6H2.
What are the key properties of 2,2,2-trifluoro-1-[1-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone has a molecular weight of 263.22 g/mol, XLogP of 1.33, 3 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-[(1-hydroxycyclopentyl)methyl]triazol-4-yl]ethanone is sourced from PubChem (CID 65212827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).