(2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene

C17H10F6N4 — CID 155930756

IUPAC(2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene
SMILESFc1cccc(C(F)(F)F)c1Cn1ccc(/N=N/c2c(F)cccc2F)n1
InChIInChI=1S/C17H10F6N4/c18-12-4-1-3-11(17(21,22)23)10(12)9-27-8-7-15(26-27)24-25-16-13(19)5-2-6-14(16)20/h1-8H,9H2/b25-24+
InChIKeyTXWNZTPRPAPHSE-OCOZRVBESA-N
MW384.28 g/mol
LogP5.78
Rot. Bonds4

About (2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene

(2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene (PubChem CID 155930756) has the molecular formula C17H10F6N4 and a molecular weight of 384.28 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene
PubChem CID155930756
Molecular FormulaC17H10F6N4
Molecular Weight384.28 g/mol
Exact Mass384.08
IUPAC Name(2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene
SMILESFc1cccc(C(F)(F)F)c1Cn1ccc(/N=N/c2c(F)cccc2F)n1
InChIInChI=1S/C17H10F6N4/c18-12-4-1-3-11(17(21,22)23)10(12)9-27-8-7-15(26-27)24-25-16-13(19)5-2-6-14(16)20/h1-8H,9H2/b25-24+
InChIKeyTXWNZTPRPAPHSE-OCOZRVBESA-N
XLogP5.78
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.28
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene?
The IUPAC name of (2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene (CID 155930756) is (2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene.
What is the SMILES notation for (2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene?
The canonical SMILES for (2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene is Fc1cccc(C(F)(F)F)c1Cn1ccc(/N=N/c2c(F)cccc2F)n1.
What is the InChIKey of (2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene?
The InChIKey is TXWNZTPRPAPHSE-OCOZRVBESA-N. The full InChI is InChI=1S/C17H10F6N4/c18-12-4-1-3-11(17(21,22)23)10(12)9-27-8-7-15(26-27)24-25-16-13(19)5-2-6-14(16)20/h1-8H,9H2/b25-24+.
What are the key properties of (2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene?
(2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene has a molecular weight of 384.28 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]diazene is sourced from PubChem (CID 155930756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).