1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine

C14H17FN2OS — CID 144837861

IUPAC1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine
SMILESCCc1cccc(N(C)N)c1SCc1cc(F)co1
InChIInChI=1S/C14H17FN2OS/c1-3-10-5-4-6-13(17(2)16)14(10)19-9-12-7-11(15)8-18-12/h4-8H,3,9,16H2,1-2H3
InChIKeyRVCBRCKOSQAKMG-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.58
Rot. Bonds5

About 1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine

1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine (PubChem CID 144837861) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine
PubChem CID144837861
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine
SMILESCCc1cccc(N(C)N)c1SCc1cc(F)co1
InChIInChI=1S/C14H17FN2OS/c1-3-10-5-4-6-13(17(2)16)14(10)19-9-12-7-11(15)8-18-12/h4-8H,3,9,16H2,1-2H3
InChIKeyRVCBRCKOSQAKMG-UHFFFAOYSA-N
XLogP3.58
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine?
The IUPAC name of 1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine (CID 144837861) is 1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine is CCc1cccc(N(C)N)c1SCc1cc(F)co1.
What is the InChIKey of 1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine?
The InChIKey is RVCBRCKOSQAKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-10-5-4-6-13(17(2)16)14(10)19-9-12-7-11(15)8-18-12/h4-8H,3,9,16H2,1-2H3.
What are the key properties of 1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine?
1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine has a molecular weight of 280.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[(4-fluorofuran-2-yl)methylsulfanyl]phenyl]-1-methylhydrazine is sourced from PubChem (CID 144837861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).