[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine

C11H9F3N4O — CID 80918117

IUPAC[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)7-1-3-8(4-2-7)19-10-5-9(18-15)16-6-17-10/h1-6H,15H2,(H,16,17,18)
InChIKeyOSMBBEJHEQXDKJ-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.57
Rot. Bonds3

About [6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine

[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine (PubChem CID 80918117) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is [6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
PubChem CID80918117
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)7-1-3-8(4-2-7)19-10-5-9(18-15)16-6-17-10/h1-6H,15H2,(H,16,17,18)
InChIKeyOSMBBEJHEQXDKJ-UHFFFAOYSA-N
XLogP2.57
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.57
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

[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80915358
[6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80915515
6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80862607
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80866351
[6-(4-chloro-3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 82719273
[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916958
[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910588
[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80917345
[6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721265
[6-(4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721247
[6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
CID 80930751
[3-(6-hydrazinylpyrimidin-4-yl)oxyphenyl]methanol
CID 80931261

Frequently Asked Questions

What is the IUPAC name of [6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine (CID 80918117) is [6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine is NNc1cc(Oc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of [6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
The InChIKey is OSMBBEJHEQXDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)7-1-3-8(4-2-7)19-10-5-9(18-15)16-6-17-10/h1-6H,15H2,(H,16,17,18).
What are the key properties of [6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine has a molecular weight of 270.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80918117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).