N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide

C8H4BrF4NO2 — CID 168651965

IUPACN-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide
SMILESO=CNc1c(Br)ccc(F)c1OC(F)(F)F
InChIInChI=1S/C8H4BrF4NO2/c9-4-1-2-5(10)7(6(4)14-3-15)16-8(11,12)13/h1-3H,(H,14,15)
InChIKeyOOEXWKDLZVWBOQ-UHFFFAOYSA-N
MW302.02 g/mol
LogP3.06
Rot. Bonds3

About N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide

N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide (PubChem CID 168651965) has the molecular formula C8H4BrF4NO2 and a molecular weight of 302.02 g/mol. Its IUPAC name is N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide.

Molecular Properties

Compound NameN-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide
PubChem CID168651965
Molecular FormulaC8H4BrF4NO2
Molecular Weight302.02 g/mol
Exact Mass300.94
IUPAC NameN-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide
SMILESO=CNc1c(Br)ccc(F)c1OC(F)(F)F
InChIInChI=1S/C8H4BrF4NO2/c9-4-1-2-5(10)7(6(4)14-3-15)16-8(11,12)13/h1-3H,(H,14,15)
InChIKeyOOEXWKDLZVWBOQ-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.02
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide?
The IUPAC name of N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide (CID 168651965) is N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide.
What is the SMILES notation for N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide?
The canonical SMILES for N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide is O=CNc1c(Br)ccc(F)c1OC(F)(F)F.
What is the InChIKey of N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide?
The InChIKey is OOEXWKDLZVWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF4NO2/c9-4-1-2-5(10)7(6(4)14-3-15)16-8(11,12)13/h1-3H,(H,14,15).
What are the key properties of N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide?
N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide has a molecular weight of 302.02 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide is sourced from PubChem (CID 168651965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).