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

C9H14F2N4O2 — CID 107482817

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)F)n1cncn1
InChIInChI=1S/C9H14F2N4O2/c1-7(15-6-12-5-13-15)9(17)14(2-3-16)4-8(10)11/h5-8,16H,2-4H2,1H3
InChIKeyWMXNQGYIVCKATH-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.07
Rot. Bonds6

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 107482817) has the molecular formula C9H14F2N4O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID107482817
Molecular FormulaC9H14F2N4O2
Molecular Weight248.23 g/mol
Exact Mass248.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)F)n1cncn1
InChIInChI=1S/C9H14F2N4O2/c1-7(15-6-12-5-13-15)9(17)14(2-3-16)4-8(10)11/h5-8,16H,2-4H2,1H3
InChIKeyWMXNQGYIVCKATH-UHFFFAOYSA-N
XLogP-0.07
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.07
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)propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 107482817) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)N(CCO)CC(F)F)n1cncn1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WMXNQGYIVCKATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O2/c1-7(15-6-12-5-13-15)9(17)14(2-3-16)4-8(10)11/h5-8,16H,2-4H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 248.23 g/mol, XLogP of -0.07, 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)propanamide is sourced from PubChem (CID 107482817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).