1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine

C16H17F3N2OS — CID 144934063

IUPAC1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
SMILESCOc1ccc(C(F)(F)F)cc1SCc1ccccc1N(C)N
InChIInChI=1S/C16H17F3N2OS/c1-21(20)13-6-4-3-5-11(13)10-23-15-9-12(16(17,18)19)7-8-14(15)22-2/h3-9H,10,20H2,1-2H3
InChIKeyGVVCZMJOELTRNP-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.32
Rot. Bonds5

About 1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine

1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine (PubChem CID 144934063) has the molecular formula C16H17F3N2OS and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
PubChem CID144934063
Molecular FormulaC16H17F3N2OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
SMILESCOc1ccc(C(F)(F)F)cc1SCc1ccccc1N(C)N
InChIInChI=1S/C16H17F3N2OS/c1-21(20)13-6-4-3-5-11(13)10-23-15-9-12(16(17,18)19)7-8-14(15)22-2/h3-9H,10,20H2,1-2H3
InChIKeyGVVCZMJOELTRNP-UHFFFAOYSA-N
XLogP4.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.32
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-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine (CID 144934063) is 1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine is COc1ccc(C(F)(F)F)cc1SCc1ccccc1N(C)N.
What is the InChIKey of 1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
The InChIKey is GVVCZMJOELTRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2OS/c1-21(20)13-6-4-3-5-11(13)10-23-15-9-12(16(17,18)19)7-8-14(15)22-2/h3-9H,10,20H2,1-2H3.
What are the key properties of 1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine has a molecular weight of 342.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine is sourced from PubChem (CID 144934063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).