N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide

C12H10BrF4NO2 — CID 166607219

IUPACN-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)C1CC(OC(F)(F)F)C1
InChIInChI=1S/C12H10BrF4NO2/c13-9-5-7(14)1-2-10(9)18-11(19)6-3-8(4-6)20-12(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)
InChIKeyHBDYUKYUOQQUIC-UHFFFAOYSA-N
MW356.11 g/mol
LogP3.84
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide

N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide (PubChem CID 166607219) has the molecular formula C12H10BrF4NO2 and a molecular weight of 356.11 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide
PubChem CID166607219
Molecular FormulaC12H10BrF4NO2
Molecular Weight356.11 g/mol
Exact Mass354.98
IUPAC NameN-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)C1CC(OC(F)(F)F)C1
InChIInChI=1S/C12H10BrF4NO2/c13-9-5-7(14)1-2-10(9)18-11(19)6-3-8(4-6)20-12(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)
InChIKeyHBDYUKYUOQQUIC-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.11
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide (CID 166607219) is N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide is O=C(Nc1ccc(F)cc1Br)C1CC(OC(F)(F)F)C1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide?
The InChIKey is HBDYUKYUOQQUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF4NO2/c13-9-5-7(14)1-2-10(9)18-11(19)6-3-8(4-6)20-12(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide?
N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide has a molecular weight of 356.11 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-3-(trifluoromethoxy)cyclobutane-1-carboxamide is sourced from PubChem (CID 166607219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).