N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C11H8BrF6NO3 — CID 22621238

IUPACN-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(OC(F)(F)F)cc1Br)C(F)(F)F
InChIInChI=1S/C11H8BrF6NO3/c1-9(21,10(13,14)15)8(20)19-7-3-2-5(4-6(7)12)22-11(16,17)18/h2-4,21H,1H3,(H,19,20)
InChIKeyRAILKSRPLSBYHN-UHFFFAOYSA-N
MW396.08 g/mol
LogP3.60
Rot. Bonds3

About N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 22621238) has the molecular formula C11H8BrF6NO3 and a molecular weight of 396.08 g/mol. Its IUPAC name is N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID22621238
Molecular FormulaC11H8BrF6NO3
Molecular Weight396.08 g/mol
Exact Mass394.96
IUPAC NameN-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(OC(F)(F)F)cc1Br)C(F)(F)F
InChIInChI=1S/C11H8BrF6NO3/c1-9(21,10(13,14)15)8(20)19-7-3-2-5(4-6(7)12)22-11(16,17)18/h2-4,21H,1H3,(H,19,20)
InChIKeyRAILKSRPLSBYHN-UHFFFAOYSA-N
XLogP3.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.08
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 22621238) is N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(OC(F)(F)F)cc1Br)C(F)(F)F.
What is the InChIKey of N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is RAILKSRPLSBYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF6NO3/c1-9(21,10(13,14)15)8(20)19-7-3-2-5(4-6(7)12)22-11(16,17)18/h2-4,21H,1H3,(H,19,20).
What are the key properties of N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 396.08 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22621238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).