2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol

C11H16F2N4O3 — CID 107486352

IUPAC2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol
SMILESNNc1c(CN(CCO)CC(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H16F2N4O3/c12-10(13)7-16(4-5-18)6-8-2-1-3-9(17(19)20)11(8)15-14/h1-3,10,15,18H,4-7,14H2
InChIKeyURTURYHAUASBQL-UHFFFAOYSA-N
MW290.27 g/mol
LogP0.94
Rot. Bonds8

About 2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol

2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol (PubChem CID 107486352) has the molecular formula C11H16F2N4O3 and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol
PubChem CID107486352
Molecular FormulaC11H16F2N4O3
Molecular Weight290.27 g/mol
Exact Mass290.12
IUPAC Name2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol
SMILESNNc1c(CN(CCO)CC(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H16F2N4O3/c12-10(13)7-16(4-5-18)6-8-2-1-3-9(17(19)20)11(8)15-14/h1-3,10,15,18H,4-7,14H2
InChIKeyURTURYHAUASBQL-UHFFFAOYSA-N
XLogP0.94
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107486313
3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile
CID 107352895
2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 107352912
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]acetamide
CID 107353155
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
2-[butyl-[[2-(methylamino)-3-nitrophenyl]methyl]amino]ethanol
CID 107351000
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]-N,N-dimethylacetamide
CID 107352930
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107352890
2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107352881
2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol
CID 107350928
N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine
CID 112752075

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol (CID 107486352) is 2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol is NNc1c(CN(CCO)CC(F)F)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol?
The InChIKey is URTURYHAUASBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O3/c12-10(13)7-16(4-5-18)6-8-2-1-3-9(17(19)20)11(8)15-14/h1-3,10,15,18H,4-7,14H2.
What are the key properties of 2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol has a molecular weight of 290.27 g/mol, XLogP of 0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol is sourced from PubChem (CID 107486352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).