1-phenyl-1-(trifluoromethylsulfanyl)hydrazine

C7H7F3N2S — CID 57454069

IUPAC1-phenyl-1-(trifluoromethylsulfanyl)hydrazine
SMILESNN(SC(F)(F)F)c1ccccc1
InChIInChI=1S/C7H7F3N2S/c8-7(9,10)13-12(11)6-4-2-1-3-5-6/h1-5H,11H2
InChIKeyXORGEIDSBOFXGI-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.53
Rot. Bonds2

About 1-phenyl-1-(trifluoromethylsulfanyl)hydrazine

1-phenyl-1-(trifluoromethylsulfanyl)hydrazine (PubChem CID 57454069) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-phenyl-1-(trifluoromethylsulfanyl)hydrazine.

Molecular Properties

Compound Name1-phenyl-1-(trifluoromethylsulfanyl)hydrazine
PubChem CID57454069
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name1-phenyl-1-(trifluoromethylsulfanyl)hydrazine
SMILESNN(SC(F)(F)F)c1ccccc1
InChIInChI=1S/C7H7F3N2S/c8-7(9,10)13-12(11)6-4-2-1-3-5-6/h1-5H,11H2
InChIKeyXORGEIDSBOFXGI-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-1-phenylsulfanylhydrazine
CID 18473873
1-fluoro-1-phenylhydrazine;hydrochloride
CID 53400318
oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine
CID 175005553
N-iodo-N-(trifluoromethyl)aniline
CID 139392066
N-chloro-N-(trifluoromethyl)aniline
CID 87317257
1,1,1,3,3,3-hexafluoro-2-N,2-N'-dimethyl-2-N,2-N'-diphenylpropane-2,2-diamine
CID 161199121
N,N-bis(trifluoromethylamino)aniline
CID 19102264
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methylaniline
CID 158801377
azane;N,N-diphenylaniline;methane
CID 174725062
1-iodo-1-phenylhydrazine;hydrochloride
CID 53433717
hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 159794587
4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
CID 126517232

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(trifluoromethylsulfanyl)hydrazine?
The IUPAC name of 1-phenyl-1-(trifluoromethylsulfanyl)hydrazine (CID 57454069) is 1-phenyl-1-(trifluoromethylsulfanyl)hydrazine.
What is the SMILES notation for 1-phenyl-1-(trifluoromethylsulfanyl)hydrazine?
The canonical SMILES for 1-phenyl-1-(trifluoromethylsulfanyl)hydrazine is NN(SC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-1-(trifluoromethylsulfanyl)hydrazine?
The InChIKey is XORGEIDSBOFXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c8-7(9,10)13-12(11)6-4-2-1-3-5-6/h1-5H,11H2.
What are the key properties of 1-phenyl-1-(trifluoromethylsulfanyl)hydrazine?
1-phenyl-1-(trifluoromethylsulfanyl)hydrazine has a molecular weight of 208.21 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(trifluoromethylsulfanyl)hydrazine is sourced from PubChem (CID 57454069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).