5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide

C9H11FN2OS — CID 63667150

IUPAC5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1SCCO
InChIInChI=1S/C9H11FN2OS/c10-6-1-2-8(14-4-3-13)7(5-6)9(11)12/h1-2,5,13H,3-4H2,(H3,11,12)
InChIKeyPAKGYIHZVMVFOA-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.19
Rot. Bonds4

About 5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide

5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide (PubChem CID 63667150) has the molecular formula C9H11FN2OS and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide
PubChem CID63667150
Molecular FormulaC9H11FN2OS
Molecular Weight214.26 g/mol
Exact Mass214.06
IUPAC Name5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1SCCO
InChIInChI=1S/C9H11FN2OS/c10-6-1-2-8(14-4-3-13)7(5-6)9(11)12/h1-2,5,13H,3-4H2,(H3,11,12)
InChIKeyPAKGYIHZVMVFOA-UHFFFAOYSA-N
XLogP1.19
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-difluorophenyl)sulfanylpropanimidamide
CID 43345486
5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide
CID 63669702
5-bromo-2-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114893629
5-fluoro-2-(methylsulfanylmethyl)benzenecarboximidamide
CID 63291251
5-bromo-2-(3-methoxypropylsulfanyl)benzenecarboximidamide
CID 114893666
5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 63667491
5-fluoro-2-(propan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 63291250
2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668828
5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790495
2-amino-4-fluorobenzenecarboximidamide
CID 140514748
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 63802715

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide (CID 63667150) is 5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1SCCO.
What is the InChIKey of 5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
The InChIKey is PAKGYIHZVMVFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c10-6-1-2-8(14-4-3-13)7(5-6)9(11)12/h1-2,5,13H,3-4H2,(H3,11,12).
What are the key properties of 5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide has a molecular weight of 214.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 63667150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).