N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide

C8H4F4INO — CID 168653146

IUPACN-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(F)cc(C(F)(F)F)c1I
InChIInChI=1S/C8H4F4INO/c9-4-1-5(8(10,11)12)7(13)6(2-4)14-3-15/h1-3H,(H,14,15)
InChIKeyIZOZCARLIVCADX-UHFFFAOYSA-N
MW333.02 g/mol
LogP3.02
Rot. Bonds2

About N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide

N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide (PubChem CID 168653146) has the molecular formula C8H4F4INO and a molecular weight of 333.02 g/mol. Its IUPAC name is N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide
PubChem CID168653146
Molecular FormulaC8H4F4INO
Molecular Weight333.02 g/mol
Exact Mass332.93
IUPAC NameN-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(F)cc(C(F)(F)F)c1I
InChIInChI=1S/C8H4F4INO/c9-4-1-5(8(10,11)12)7(13)6(2-4)14-3-15/h1-3H,(H,14,15)
InChIKeyIZOZCARLIVCADX-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide (CID 168653146) is N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide is O=CNc1cc(F)cc(C(F)(F)F)c1I.
What is the InChIKey of N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide?
The InChIKey is IZOZCARLIVCADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4INO/c9-4-1-5(8(10,11)12)7(13)6(2-4)14-3-15/h1-3H,(H,14,15).
What are the key properties of N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide?
N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide has a molecular weight of 333.02 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 168653146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).