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

C10H13FN2O2S — CID 43617545

IUPAC3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CSCCO)c(F)c1
InChIInChI=1S/C10H13FN2O2S/c11-9-5-7(10(12)13-15)1-2-8(9)6-16-4-3-14/h1-2,5,14-15H,3-4,6H2,(H2,12,13)
InChIKeyVRLDOYCRBLJBLO-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.15
Rot. Bonds5

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

3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide (PubChem CID 43617545) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide
PubChem CID43617545
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CSCCO)c(F)c1
InChIInChI=1S/C10H13FN2O2S/c11-9-5-7(10(12)13-15)1-2-8(9)6-16-4-3-14/h1-2,5,14-15H,3-4,6H2,(H2,12,13)
InChIKeyVRLDOYCRBLJBLO-UHFFFAOYSA-N
XLogP1.15
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide (CID 43617545) is 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(CSCCO)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide?
The InChIKey is VRLDOYCRBLJBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-9-5-7(10(12)13-15)1-2-8(9)6-16-4-3-14/h1-2,5,14-15H,3-4,6H2,(H2,12,13).
What are the key properties of 3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(2-hydroxyethylsulfanylmethyl)benzenecarboximidamide has a molecular weight of 244.29 g/mol, XLogP of 1.15, 5 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-hydroxyethylsulfanylmethyl)benzenecarboximidamide is sourced from PubChem (CID 43617545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).