4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide

C11H15F2N3O2 — CID 107480053

IUPAC4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(N(CCO)CC(F)F)cc1
InChIInChI=1S/C11H15F2N3O2/c12-10(13)7-16(5-6-17)9-3-1-8(2-4-9)11(14)15-18/h1-4,10,17-18H,5-7H2,(H2,14,15)
InChIKeyCDXFOUHMBRCOPK-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.84
Rot. Bonds6

About 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 107480053) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID107480053
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(N(CCO)CC(F)F)cc1
InChIInChI=1S/C11H15F2N3O2/c12-10(13)7-16(5-6-17)9-3-1-8(2-4-9)11(14)15-18/h1-4,10,17-18H,5-7H2,(H2,14,15)
InChIKeyCDXFOUHMBRCOPK-UHFFFAOYSA-N
XLogP0.84
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 60981592
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136858019
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 107480051
2-chloro-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzenecarbothioamide
CID 107479829
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 107480069
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 107480056
2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107481467
4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981473
4-[ethyl(2-hydroxyethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 54879747
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 107484267
4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 102862865
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 77001853

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 107480053) is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(N(CCO)CC(F)F)cc1.
What is the InChIKey of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is CDXFOUHMBRCOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-10(13)7-16(5-6-17)9-3-1-8(2-4-9)11(14)15-18/h1-4,10,17-18H,5-7H2,(H2,14,15).
What are the key properties of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 259.26 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107480053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).