1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone

C10H7BrF4O2 — CID 106645011

IUPAC1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1cccc(Br)c1F
InChIInChI=1S/C10H7BrF4O2/c11-7-3-1-2-6(9(7)12)8(16)4-17-5-10(13,14)15/h1-3H,4-5H2
InChIKeyDOFYLLYDNJDMDN-UHFFFAOYSA-N
MW315.06 g/mol
LogP3.35
Rot. Bonds4

About 1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 106645011) has the molecular formula C10H7BrF4O2 and a molecular weight of 315.06 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID106645011
Molecular FormulaC10H7BrF4O2
Molecular Weight315.06 g/mol
Exact Mass313.96
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1cccc(Br)c1F
InChIInChI=1S/C10H7BrF4O2/c11-7-3-1-2-6(9(7)12)8(16)4-17-5-10(13,14)15/h1-3H,4-5H2
InChIKeyDOFYLLYDNJDMDN-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.06
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 89480353
1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone
CID 106644772
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799454
1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214118
1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214452
1-(2-bromo-4-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206758
3-bromo-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzoic acid
CID 61490443
1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 106647523
1-(3-bromo-2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206851
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 106644761
3-bromo-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61391092

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 106645011) is 1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is DOFYLLYDNJDMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF4O2/c11-7-3-1-2-6(9(7)12)8(16)4-17-5-10(13,14)15/h1-3H,4-5H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 315.06 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 106645011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).