[4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C11H8F4N4S — CID 114567844

IUPAC[4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(Sc2ccc(F)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H8F4N4S/c12-6-1-3-7(4-2-6)20-9-5-8(11(13,14)15)17-10(18-9)19-16/h1-5H,16H2,(H,17,18,19)
InChIKeyPKQRMLUCXJHFGV-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.07
Rot. Bonds3

About [4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567844) has the molecular formula C11H8F4N4S and a molecular weight of 304.27 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567844
Molecular FormulaC11H8F4N4S
Molecular Weight304.27 g/mol
Exact Mass304.04
IUPAC Name[4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(Sc2ccc(F)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H8F4N4S/c12-6-1-3-7(4-2-6)20-9-5-8(11(13,14)15)17-10(18-9)19-16/h1-5H,16H2,(H,17,18,19)
InChIKeyPKQRMLUCXJHFGV-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567852
4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 136955868
[4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567865
N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567157
[4-(2,3-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567786
[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922374
4-(3-methoxyphenyl)sulfanyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566730
N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567318
[6-(4-bromophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776524
[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106498029
[4-(4-tert-butylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80925519
4-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]aniline
CID 5082960

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567844) is [4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is NNc1nc(Sc2ccc(F)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of [4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is PKQRMLUCXJHFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4S/c12-6-1-3-7(4-2-6)20-9-5-8(11(13,14)15)17-10(18-9)19-16/h1-5H,16H2,(H,17,18,19).
What are the key properties of [4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 304.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).