hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate

C9H11FN2O2S — CID 66338804

IUPAChydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate
SMILESNNOC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C9H11FN2O2S/c10-7-1-3-8(4-2-7)15-6-5-9(13)14-12-11/h1-4,12H,5-6,11H2
InChIKeyRQIDPALPZABPNO-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.23
Rot. Bonds5

About hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate

hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate (PubChem CID 66338804) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Namehydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate
PubChem CID66338804
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Namehydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate
SMILESNNOC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C9H11FN2O2S/c10-7-1-3-8(4-2-7)15-6-5-9(13)14-12-11/h1-4,12H,5-6,11H2
InChIKeyRQIDPALPZABPNO-UHFFFAOYSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 78907883
hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 66337335
(2-anilino-2-oxoethyl) 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651113
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 42976650
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8856195
4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
[2-(2-bromoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651165
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2583503
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7762079
methyl 6-(4-fluorophenyl)sulfanylhexanoate
CID 135365967
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7650866
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651131

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate?
The IUPAC name of hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate (CID 66338804) is hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate.
What is the SMILES notation for hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate?
The canonical SMILES for hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate is NNOC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate?
The InChIKey is RQIDPALPZABPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c10-7-1-3-8(4-2-7)15-6-5-9(13)14-12-11/h1-4,12H,5-6,11H2.
What are the key properties of hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate?
hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate has a molecular weight of 230.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate is sourced from PubChem (CID 66338804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).