N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide

C8H4BrF4NO — CID 168653043

IUPACN-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1c(Br)cc(F)cc1C(F)(F)F
InChIInChI=1S/C8H4BrF4NO/c9-6-2-4(10)1-5(8(11,12)13)7(6)14-3-15/h1-3H,(H,14,15)
InChIKeyIWTNECKDAOWYBL-UHFFFAOYSA-N
MW286.02 g/mol
LogP3.18
Rot. Bonds2

About N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide

N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide (PubChem CID 168653043) has the molecular formula C8H4BrF4NO and a molecular weight of 286.02 g/mol. Its IUPAC name is N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide
PubChem CID168653043
Molecular FormulaC8H4BrF4NO
Molecular Weight286.02 g/mol
Exact Mass284.94
IUPAC NameN-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1c(Br)cc(F)cc1C(F)(F)F
InChIInChI=1S/C8H4BrF4NO/c9-6-2-4(10)1-5(8(11,12)13)7(6)14-3-15/h1-3H,(H,14,15)
InChIKeyIWTNECKDAOWYBL-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.02
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide (CID 168653043) is N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide is O=CNc1c(Br)cc(F)cc1C(F)(F)F.
What is the InChIKey of N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide?
The InChIKey is IWTNECKDAOWYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF4NO/c9-6-2-4(10)1-5(8(11,12)13)7(6)14-3-15/h1-3H,(H,14,15).
What are the key properties of N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide?
N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide has a molecular weight of 286.02 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 168653043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).