N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide

C11H10F4N4O2 — CID 71776600

IUPACN-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIInChI=1S/C11H10F4N4O2/c1-11(2,3)21-19(4-20)10-7(14)5(12)9(17-18-16)6(13)8(10)15/h4H,1-3H3
InChIKeyIVZNZRLTTBOZFM-UHFFFAOYSA-N
MW306.22 g/mol
LogP3.88
Rot. Bonds4

About N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide

N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 71776600) has the molecular formula C11H10F4N4O2 and a molecular weight of 306.22 g/mol. Its IUPAC name is N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID71776600
Molecular FormulaC11H10F4N4O2
Molecular Weight306.22 g/mol
Exact Mass306.07
IUPAC NameN-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIInChI=1S/C11H10F4N4O2/c1-11(2,3)21-19(4-20)10-7(14)5(12)9(17-18-16)6(13)8(10)15/h4H,1-3H3
InChIKeyIVZNZRLTTBOZFM-UHFFFAOYSA-N
XLogP3.88
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide (CID 71776600) is N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.
What is the InChIKey of N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is IVZNZRLTTBOZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N4O2/c1-11(2,3)21-19(4-20)10-7(14)5(12)9(17-18-16)6(13)8(10)15/h4H,1-3H3.
What are the key properties of N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide?
N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 306.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 71776600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).