N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide

C8H12F2N4O2 — CID 107482662

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N(CCO)CC(F)F
InChIInChI=1S/C8H12F2N4O2/c9-7(10)3-13(1-2-15)8(16)4-14-6-11-5-12-14/h5-7,15H,1-4H2
InChIKeyXLFRLYMCNMMXIE-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.64
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 107482662) has the molecular formula C8H12F2N4O2 and a molecular weight of 234.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID107482662
Molecular FormulaC8H12F2N4O2
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N(CCO)CC(F)F
InChIInChI=1S/C8H12F2N4O2/c9-7(10)3-13(1-2-15)8(16)4-14-6-11-5-12-14/h5-7,15H,1-4H2
InChIKeyXLFRLYMCNMMXIE-UHFFFAOYSA-N
XLogP-0.64
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 107482662) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is XLFRLYMCNMMXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O2/c9-7(10)3-13(1-2-15)8(16)4-14-6-11-5-12-14/h5-7,15H,1-4H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 234.21 g/mol, XLogP of -0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 107482662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).