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

C12H16F4N2O2S — CID 107292535

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

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

[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine (PubChem CID 107292535) has the molecular formula C12H16F4N2O2S and a molecular weight of 328.33 g/mol. Its IUPAC name is [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
PubChem CID107292535
Molecular FormulaC12H16F4N2O2S
Molecular Weight328.33 g/mol
Exact Mass328.09
IUPAC Name[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
SMILESCC(C)(C(NN)c1ccc(C(F)(F)F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C12H16F4N2O2S/c1-11(2,21(3,19)20)10(18-17)7-4-5-8(9(13)6-7)12(14,15)16/h4-6,10,18H,17H2,1-3H3
InChIKeyHGZMJEJPQLMEGR-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'}

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Related Compounds

[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 107292604
[2-methyl-2-methylsulfonyl-1-(4-propan-2-ylphenyl)propyl]hydrazine
CID 105304336
[2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine
CID 105327259
[1-(2,5-dichlorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105302110
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine
CID 107289412
[1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105335480
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 115852186
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine
CID 107292433
[(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292542
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
[[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 107292495

Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine (CID 107292535) is [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine is CC(C)(C(NN)c1ccc(C(F)(F)F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine?
The InChIKey is HGZMJEJPQLMEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O2S/c1-11(2,21(3,19)20)10(18-17)7-4-5-8(9(13)6-7)12(14,15)16/h4-6,10,18H,17H2,1-3H3.
What are the key properties of [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine?
[1-[3-fluoro-4-(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-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 107292535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).