4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide

C8H11F3N4O — CID 122560590

IUPAC4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide
SMILESO=C(CCC(F)(F)F)NCCn1ccnn1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)2-1-7(16)12-3-5-15-6-4-13-14-15/h4,6H,1-3,5H2,(H,12,16)
InChIKeyGYLMFYDEJQSVLV-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.74
Rot. Bonds5

About 4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide

4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide (PubChem CID 122560590) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide
PubChem CID122560590
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide
SMILESO=C(CCC(F)(F)F)NCCn1ccnn1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)2-1-7(16)12-3-5-15-6-4-13-14-15/h4,6H,1-3,5H2,(H,12,16)
InChIKeyGYLMFYDEJQSVLV-UHFFFAOYSA-N
XLogP0.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide (CID 122560590) is 4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide is O=C(CCC(F)(F)F)NCCn1ccnn1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide?
The InChIKey is GYLMFYDEJQSVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)2-1-7(16)12-3-5-15-6-4-13-14-15/h4,6H,1-3,5H2,(H,12,16).
What are the key properties of 4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide?
4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide has a molecular weight of 236.20 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(triazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 122560590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).