3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide

C9H11FN2O2S — CID 43658560

IUPAC3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(SCCO)c(F)c1
InChIInChI=1S/C9H11FN2O2S/c10-7-5-6(9(11)12-14)1-2-8(7)15-4-3-13/h1-2,5,13-14H,3-4H2,(H2,11,12)
InChIKeyFYSOBEUXIJKOSJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.00
Rot. Bonds4

About 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide (PubChem CID 43658560) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide
PubChem CID43658560
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Name3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(SCCO)c(F)c1
InChIInChI=1S/C9H11FN2O2S/c10-7-5-6(9(11)12-14)1-2-8(7)15-4-3-13/h1-2,5,13-14H,3-4H2,(H2,11,12)
InChIKeyFYSOBEUXIJKOSJ-UHFFFAOYSA-N
XLogP1.00
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.00
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

n-Hydroxy-4-methylsulfanyl-benzamidine
CID 4131701
CID 6017598
CID 6017598
N'-Hydroxy-4-(methylthio)benzimidamide
CID 40642471
CID 43140202
CID 43140202
3-fluoro-N'-hydroxy-4-methylsulfanylbenzenecarboximidamide
CID 57856596
3,5-difluoro-N'-hydroxy-4-methylsulfanylbenzenecarboximidamide
CID 57856619
4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfanyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 58022692
2-fluoro-N'-hydroxy-4-methylsulfanylbenzenecarboximidamide
CID 58022708
2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide
CID 58022762
methyl 2-[2-fluoro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfanylacetate
CID 58022769
CID 58538515
CID 58538515
2-Fluoro-N'-hydroxy-4-(methanesulfonyl)benzene-1-carboximidamide
CID 71413608

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide (CID 43658560) is 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide is N/C(=N\O)c1ccc(SCCO)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
The InChIKey is FYSOBEUXIJKOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c10-7-5-6(9(11)12-14)1-2-8(7)15-4-3-13/h1-2,5,13-14H,3-4H2,(H2,11,12).
What are the key properties of 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide has a molecular weight of 230.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 43658560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).