2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide

C14H2F11NO2 — CID 101118820

IUPAC2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide
SMILESNC(=O)c1c(F)c(F)c(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H2F11NO2/c15-3-1(13(26)27)4(16)8(20)11(7(3)19)28-12-9(21)5(17)2(14(23,24)25)6(18)10(12)22/h(H2,26,27)
InChIKeyKCOLHKVWMPRQDZ-UHFFFAOYSA-N
MW425.15 g/mol
LogP4.71
Rot. Bonds3

About 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide

2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide (PubChem CID 101118820) has the molecular formula C14H2F11NO2 and a molecular weight of 425.15 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide
PubChem CID101118820
Molecular FormulaC14H2F11NO2
Molecular Weight425.15 g/mol
Exact Mass424.99
IUPAC Name2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide
SMILESNC(=O)c1c(F)c(F)c(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H2F11NO2/c15-3-1(13(26)27)4(16)8(20)11(7(3)19)28-12-9(21)5(17)2(14(23,24)25)6(18)10(12)22/h(H2,26,27)
InChIKeyKCOLHKVWMPRQDZ-UHFFFAOYSA-N
XLogP4.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.15
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide (CID 101118820) is 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide is NC(=O)c1c(F)c(F)c(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is KCOLHKVWMPRQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H2F11NO2/c15-3-1(13(26)27)4(16)8(20)11(7(3)19)28-12-9(21)5(17)2(14(23,24)25)6(18)10(12)22/h(H2,26,27).
What are the key properties of 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide?
2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 425.15 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 101118820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).