1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol

C9H13FN2O2S — CID 170819840

IUPAC1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol
SMILESNNc1ccc(C(O)C(O)CS)cc1F
InChIInChI=1S/C9H13FN2O2S/c10-6-3-5(1-2-7(6)12-11)9(14)8(13)4-15/h1-3,8-9,12-15H,4,11H2
InChIKeySFAZGKSOVDAEPL-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.44
Rot. Bonds4

About 1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol

1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol (PubChem CID 170819840) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol
PubChem CID170819840
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol
SMILESNNc1ccc(C(O)C(O)CS)cc1F
InChIInChI=1S/C9H13FN2O2S/c10-6-3-5(1-2-7(6)12-11)9(14)8(13)4-15/h1-3,8-9,12-15H,4,11H2
InChIKeySFAZGKSOVDAEPL-UHFFFAOYSA-N
XLogP0.44
TPSA78.51 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol
CID 171857917
N-[3-(3-fluoro-4-hydrazinylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830022
4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol
CID 171879429
S-[4-(3-fluoro-4-hydrazinylphenyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875848
(2-fluoro-4-propan-2-ylphenyl)hydrazine;hydrochloride
CID 138473582
1-(4-amino-3-hydroxyphenyl)-3-sulfanylpropane-1,2-diol
CID 170819644
1-(6-aminonaphthalen-2-yl)-3-sulfanylpropane-1,2-diol
CID 170820652
1-(3,5-difluoro-4-nitrophenyl)-3-sulfanylpropane-1,2-diol
CID 170820569
1-(6-hydroxynaphthalen-2-yl)-3-sulfanylpropane-1,2-diol
CID 170820620
1-[4-amino-3-(trifluoromethoxy)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820806
1-(4-bromophenyl)-3-sulfanylpropane-1,2-diol
CID 170820927
2-amino-4-(1,2-dihydroxy-3-sulfanylpropyl)benzoic acid
CID 170820344

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol?
The IUPAC name of 1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol (CID 170819840) is 1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol.
What is the SMILES notation for 1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol?
The canonical SMILES for 1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol is NNc1ccc(C(O)C(O)CS)cc1F.
What is the InChIKey of 1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol?
The InChIKey is SFAZGKSOVDAEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c10-6-3-5(1-2-7(6)12-11)9(14)8(13)4-15/h1-3,8-9,12-15H,4,11H2.
What are the key properties of 1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol?
1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol has a molecular weight of 232.28 g/mol, XLogP of 0.44, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol is sourced from PubChem (CID 170819840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).