1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone

C9H10F3N3O — CID 62582153

IUPAC1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1cn(C2CCCC2)nn1)C(F)(F)F
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)8(16)7-5-15(14-13-7)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyRGICBKYWMXOYQV-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.14
Rot. Bonds2

About 1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone

1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone (PubChem CID 62582153) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone
PubChem CID62582153
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1cn(C2CCCC2)nn1)C(F)(F)F
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)8(16)7-5-15(14-13-7)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyRGICBKYWMXOYQV-UHFFFAOYSA-N
XLogP2.14
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone (CID 62582153) is 1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone is O=C(c1cn(C2CCCC2)nn1)C(F)(F)F.
What is the InChIKey of 1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone?
The InChIKey is RGICBKYWMXOYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)8(16)7-5-15(14-13-7)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone?
1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone has a molecular weight of 233.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 62582153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).