[6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C11H7F5N4S — CID 106776561

IUPAC[6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2cc(F)ccc2F)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7F5N4S/c12-5-1-2-6(13)7(3-5)21-9-4-8(20-17)18-10(19-9)11(14,15)16/h1-4H,17H2,(H,18,19,20)
InChIKeyHHSVSXZYWDYJBV-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.21
Rot. Bonds3

About [6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776561) has the molecular formula C11H7F5N4S and a molecular weight of 322.26 g/mol. Its IUPAC name is [6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776561
Molecular FormulaC11H7F5N4S
Molecular Weight322.26 g/mol
Exact Mass322.03
IUPAC Name[6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2cc(F)ccc2F)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7F5N4S/c12-5-1-2-6(13)7(3-5)21-9-4-8(20-17)18-10(19-9)11(14,15)16/h1-4H,17H2,(H,18,19,20)
InChIKeyHHSVSXZYWDYJBV-UHFFFAOYSA-N
XLogP3.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of [6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776561) is [6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is NNc1cc(Sc2cc(F)ccc2F)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is HHSVSXZYWDYJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N4S/c12-5-1-2-6(13)7(3-5)21-9-4-8(20-17)18-10(19-9)11(14,15)16/h1-4H,17H2,(H,18,19,20).
What are the key properties of [6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 322.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).