[3-(trifluoromethylsulfanyl)phenyl]hydrazine

C7H7F3N2S — CID 14290903

IUPAC[3-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C7H7F3N2S/c8-7(9,10)13-6-3-1-2-5(4-6)12-11/h1-4,12H,11H2
InChIKeyRLNCIRYSEMMHOP-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.58
Rot. Bonds2

About [3-(trifluoromethylsulfanyl)phenyl]hydrazine

[3-(trifluoromethylsulfanyl)phenyl]hydrazine (PubChem CID 14290903) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is [3-(trifluoromethylsulfanyl)phenyl]hydrazine.

Molecular Properties

Compound Name[3-(trifluoromethylsulfanyl)phenyl]hydrazine
PubChem CID14290903
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name[3-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C7H7F3N2S/c8-7(9,10)13-6-3-1-2-5(4-6)12-11/h1-4,12H,11H2
InChIKeyRLNCIRYSEMMHOP-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.58
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'}

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Related Compounds

4-((Trifluoromethyl)thio)aniline
CID 123054
3-((Trifluoromethyl)thio)aniline
CID 2735939
{4-[(Difluoromethyl)sulfonyl]phenyl}hydrazine
CID 271371
4-Thiocyanatophenylhydrazine hydrochloride
CID 24194154
(4-(Methylsulfanyl)phenyl)hydrazine hydrochloride
CID 2760977
(3-(Methylsulfanyl)phenyl)hydrazine hydrochloride
CID 21110099
3-((Difluoromethyl)sulfanyl)aniline
CID 26596730
3-[(1,1,2,2-Tetrafluoroethyl)thio]benzenamine
CID 23423643
[4-[(Trifluoromethyl)sulfonyl]phenyl]hydrazine
CID 1391565
4-(Methylthio)phenylhydrazine
CID 2760978
Hydrazine, [4-[(trifluoromethyl)thio]phenyl]-
CID 10420564
{3-Fluoro-4-[(trifluoromethyl)sulfanyl]phenyl}hydrazine
CID 118809812

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethylsulfanyl)phenyl]hydrazine?
The IUPAC name of [3-(trifluoromethylsulfanyl)phenyl]hydrazine (CID 14290903) is [3-(trifluoromethylsulfanyl)phenyl]hydrazine.
What is the SMILES notation for [3-(trifluoromethylsulfanyl)phenyl]hydrazine?
The canonical SMILES for [3-(trifluoromethylsulfanyl)phenyl]hydrazine is NNc1cccc(SC(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethylsulfanyl)phenyl]hydrazine?
The InChIKey is RLNCIRYSEMMHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c8-7(9,10)13-6-3-1-2-5(4-6)12-11/h1-4,12H,11H2.
What are the key properties of [3-(trifluoromethylsulfanyl)phenyl]hydrazine?
[3-(trifluoromethylsulfanyl)phenyl]hydrazine has a molecular weight of 208.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethylsulfanyl)phenyl]hydrazine is sourced from PubChem (CID 14290903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).