2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H6Cl2F6N2O — CID 118064344

IUPAC2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNNc1c(Cl)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C9H6Cl2F6N2O/c10-4-1-3(2-5(11)6(4)19-18)7(20,8(12,13)14)9(15,16)17/h1-2,19-20H,18H2
InChIKeyPNOAAYFLYGUKLS-UHFFFAOYSA-N
MW343.05 g/mol
LogP3.59
Rot. Bonds2

About 2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 118064344) has the molecular formula C9H6Cl2F6N2O and a molecular weight of 343.05 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID118064344
Molecular FormulaC9H6Cl2F6N2O
Molecular Weight343.05 g/mol
Exact Mass341.98
IUPAC Name2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNNc1c(Cl)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C9H6Cl2F6N2O/c10-4-1-3(2-5(11)6(4)19-18)7(20,8(12,13)14)9(15,16)17/h1-2,19-20H,18H2
InChIKeyPNOAAYFLYGUKLS-UHFFFAOYSA-N
XLogP3.59
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.05
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 118064344) is 2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is NNc1c(Cl)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is PNOAAYFLYGUKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F6N2O/c10-4-1-3(2-5(11)6(4)19-18)7(20,8(12,13)14)9(15,16)17/h1-2,19-20H,18H2.
What are the key properties of 2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 343.05 g/mol, XLogP of 3.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 118064344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).