2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide

C13H19F2N3O2 — CID 107493131

IUPAC2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1CN(CCO)CC(F)F
InChIInChI=1S/C13H19F2N3O2/c14-12(15)9-18(5-6-19)8-11-4-2-1-3-10(11)7-13(20)17-16/h1-4,12,19H,5-9,16H2,(H,17,20)
InChIKeySIQNYPHZDJYCSM-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.28
Rot. Bonds8

About 2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide

2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide (PubChem CID 107493131) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide
PubChem CID107493131
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1CN(CCO)CC(F)F
InChIInChI=1S/C13H19F2N3O2/c14-12(15)9-18(5-6-19)8-11-4-2-1-3-10(11)7-13(20)17-16/h1-4,12,19H,5-9,16H2,(H,17,20)
InChIKeySIQNYPHZDJYCSM-UHFFFAOYSA-N
XLogP0.28
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide (CID 107493131) is 2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccccc1CN(CCO)CC(F)F.
What is the InChIKey of 2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is SIQNYPHZDJYCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c14-12(15)9-18(5-6-19)8-11-4-2-1-3-10(11)7-13(20)17-16/h1-4,12,19H,5-9,16H2,(H,17,20).
What are the key properties of 2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide?
2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 287.31 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 107493131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).