(4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine

C9H8ClFN2S — CID 14255747

IUPAC(4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine
SMILESC#CCSc1cc(NN)c(F)cc1Cl
InChIInChI=1S/C9H8ClFN2S/c1-2-3-14-9-5-8(13-12)7(11)4-6(9)10/h1,4-5,13H,3,12H2
InChIKeyZVRKYWPBVVCTSV-UHFFFAOYSA-N
MW230.70 g/mol
LogP2.49
Rot. Bonds3

About (4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine

(4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine (PubChem CID 14255747) has the molecular formula C9H8ClFN2S and a molecular weight of 230.70 g/mol. Its IUPAC name is (4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine.

Molecular Properties

Compound Name(4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine
PubChem CID14255747
Molecular FormulaC9H8ClFN2S
Molecular Weight230.70 g/mol
Exact Mass230.01
IUPAC Name(4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine
SMILESC#CCSc1cc(NN)c(F)cc1Cl
InChIInChI=1S/C9H8ClFN2S/c1-2-3-14-9-5-8(13-12)7(11)4-6(9)10/h1,4-5,13H,3,12H2
InChIKeyZVRKYWPBVVCTSV-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine?
The IUPAC name of (4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine (CID 14255747) is (4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine.
What is the SMILES notation for (4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine?
The canonical SMILES for (4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine is C#CCSc1cc(NN)c(F)cc1Cl.
What is the InChIKey of (4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine?
The InChIKey is ZVRKYWPBVVCTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2S/c1-2-3-14-9-5-8(13-12)7(11)4-6(9)10/h1,4-5,13H,3,12H2.
What are the key properties of (4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine?
(4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine has a molecular weight of 230.70 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)hydrazine is sourced from PubChem (CID 14255747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).