[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine

C12H16F4N2O2S — CID 107292604

IUPAC[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
SMILESCC(C)(C(NN)c1ccc(F)c(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C12H16F4N2O2S/c1-11(2,21(3,19)20)10(18-17)7-4-5-9(13)8(6-7)12(14,15)16/h4-6,10,18H,17H2,1-3H3
InChIKeyFMXFYIDAVUZMKV-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.17
Rot. Bonds4

About [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine

[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine (PubChem CID 107292604) has the molecular formula C12H16F4N2O2S and a molecular weight of 328.33 g/mol. Its IUPAC name is [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
PubChem CID107292604
Molecular FormulaC12H16F4N2O2S
Molecular Weight328.33 g/mol
Exact Mass328.09
IUPAC Name[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
SMILESCC(C)(C(NN)c1ccc(F)c(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C12H16F4N2O2S/c1-11(2,21(3,19)20)10(18-17)7-4-5-9(13)8(6-7)12(14,15)16/h4-6,10,18H,17H2,1-3H3
InChIKeyFMXFYIDAVUZMKV-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 107292535
[2-methyl-2-methylsulfonyl-1-(4-propan-2-ylphenyl)propyl]hydrazine
CID 105304336
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 115854344
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylpentyl]hydrazine
CID 107292585
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
CID 105325763
4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
CID 61230337
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]hydrazine
CID 107292329
[1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105335480
N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 115852186
1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
CID 71056767
tert-butyl 2-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 107289984
[(3-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105289210

Frequently Asked Questions

What is the IUPAC name of [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine (CID 107292604) is [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine is CC(C)(C(NN)c1ccc(F)c(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine?
The InChIKey is FMXFYIDAVUZMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O2S/c1-11(2,21(3,19)20)10(18-17)7-4-5-9(13)8(6-7)12(14,15)16/h4-6,10,18H,17H2,1-3H3.
What are the key properties of [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine?
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine has a molecular weight of 328.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 107292604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).