N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide

C11H9F3N4O3 — CID 62579597

IUPACN-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C(F)(F)F)nn1)NCc1ccco1
InChIInChI=1S/C11H9F3N4O3/c12-11(13,14)10(20)8-5-18(17-16-8)6-9(19)15-4-7-2-1-3-21-7/h1-3,5H,4,6H2,(H,15,19)
InChIKeyMATKOCCRHMTEEF-UHFFFAOYSA-N
MW302.21 g/mol
LogP0.93
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide (PubChem CID 62579597) has the molecular formula C11H9F3N4O3 and a molecular weight of 302.21 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
PubChem CID62579597
Molecular FormulaC11H9F3N4O3
Molecular Weight302.21 g/mol
Exact Mass302.06
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C(F)(F)F)nn1)NCc1ccco1
InChIInChI=1S/C11H9F3N4O3/c12-11(13,14)10(20)8-5-18(17-16-8)6-9(19)15-4-7-2-1-3-21-7/h1-3,5H,4,6H2,(H,15,19)
InChIKeyMATKOCCRHMTEEF-UHFFFAOYSA-N
XLogP0.93
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide (CID 62579597) is N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide is O=C(Cn1cc(C(=O)C(F)(F)F)nn1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The InChIKey is MATKOCCRHMTEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3/c12-11(13,14)10(20)8-5-18(17-16-8)6-9(19)15-4-7-2-1-3-21-7/h1-3,5H,4,6H2,(H,15,19).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide has a molecular weight of 302.21 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62579597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).