N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide

C12H4Cl2F12N2 — CID 15509917

IUPACN'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide
SMILESN/C(=N\c1c(Cl)cc(C(F)(F)F)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H4Cl2F12N2/c13-4-1-3(9(17,18)19)2-5(14)6(4)28-7(27)8(15,16)10(20,21)11(22,23)12(24,25)26/h1-2H,(H2,27,28)
InChIKeyGIADOSGYOFULJR-UHFFFAOYSA-N
MW475.06 g/mol
LogP6.47
Rot. Bonds4

About N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide

N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide (PubChem CID 15509917) has the molecular formula C12H4Cl2F12N2 and a molecular weight of 475.06 g/mol. Its IUPAC name is N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide.

Molecular Properties

Compound NameN'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide
PubChem CID15509917
Molecular FormulaC12H4Cl2F12N2
Molecular Weight475.06 g/mol
Exact Mass473.96
IUPAC NameN'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide
SMILESN/C(=N\c1c(Cl)cc(C(F)(F)F)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H4Cl2F12N2/c13-4-1-3(9(17,18)19)2-5(14)6(4)28-7(27)8(15,16)10(20,21)11(22,23)12(24,25)26/h1-2H,(H2,27,28)
InChIKeyGIADOSGYOFULJR-UHFFFAOYSA-N
XLogP6.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.06
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide?
The IUPAC name of N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide (CID 15509917) is N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide.
What is the SMILES notation for N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide?
The canonical SMILES for N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide is N/C(=N\c1c(Cl)cc(C(F)(F)F)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide?
The InChIKey is GIADOSGYOFULJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl2F12N2/c13-4-1-3(9(17,18)19)2-5(14)6(4)28-7(27)8(15,16)10(20,21)11(22,23)12(24,25)26/h1-2H,(H2,27,28).
What are the key properties of N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide?
N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide has a molecular weight of 475.06 g/mol, XLogP of 6.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide is sourced from PubChem (CID 15509917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).