1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine

C13H5Cl2F9N4 — CID 141239612

IUPAC1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine
SMILESFC(F)(F)c1cc(Cl)c(NNc2cc(C(F)(F)F)nc(C(F)(F)F)n2)c(Cl)c1
InChIInChI=1S/C13H5Cl2F9N4/c14-5-1-4(11(16,17)18)2-6(15)9(5)28-27-8-3-7(12(19,20)21)25-10(26-8)13(22,23)24/h1-3,28H,(H,25,26,27)
InChIKeyJWSFYFSUWMHEHH-UHFFFAOYSA-N
MW459.10 g/mol
LogP6.28
Rot. Bonds3

About 1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine

1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine (PubChem CID 141239612) has the molecular formula C13H5Cl2F9N4 and a molecular weight of 459.10 g/mol. Its IUPAC name is 1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine
PubChem CID141239612
Molecular FormulaC13H5Cl2F9N4
Molecular Weight459.10 g/mol
Exact Mass457.97
IUPAC Name1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine
SMILESFC(F)(F)c1cc(Cl)c(NNc2cc(C(F)(F)F)nc(C(F)(F)F)n2)c(Cl)c1
InChIInChI=1S/C13H5Cl2F9N4/c14-5-1-4(11(16,17)18)2-6(15)9(5)28-27-8-3-7(12(19,20)21)25-10(26-8)13(22,23)24/h1-3,28H,(H,25,26,27)
InChIKeyJWSFYFSUWMHEHH-UHFFFAOYSA-N
XLogP6.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.10
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methylhydrazine
CID 142056538
2,4,6-tris(trifluoromethyl)pyridine
CID 14937918
N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine
CID 58121577
6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 87998594
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine
CID 150390045
1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
CID 168640694
4-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772319
2-[2-chloro-6-nitro-4-(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 139907600
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-one
CID 19821793
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119003399

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of 1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine (CID 141239612) is 1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for 1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for 1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine is FC(F)(F)c1cc(Cl)c(NNc2cc(C(F)(F)F)nc(C(F)(F)F)n2)c(Cl)c1.
What is the InChIKey of 1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine?
The InChIKey is JWSFYFSUWMHEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F9N4/c14-5-1-4(11(16,17)18)2-6(15)9(5)28-27-8-3-7(12(19,20)21)25-10(26-8)13(22,23)24/h1-3,28H,(H,25,26,27).
What are the key properties of 1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine?
1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine has a molecular weight of 459.10 g/mol, XLogP of 6.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 141239612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).