1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one

C11H10F4O2 — CID 58180993

IUPAC1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C11H10F4O2/c1-6(2)10(16)8-5-7(3-4-9(8)12)17-11(13,14)15/h3-6H,1-2H3
InChIKeyUNUJGFLGHXQMGB-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.56
Rot. Bonds3

About 1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one

1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one (PubChem CID 58180993) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
PubChem CID58180993
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C11H10F4O2/c1-6(2)10(16)8-5-7(3-4-9(8)12)17-11(13,14)15/h3-6H,1-2H3
InChIKeyUNUJGFLGHXQMGB-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 146009854
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
2-bromo-1-[2-chloro-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134619078
2-bromo-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134619101
1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one
CID 134620299
methyl 2-propan-2-yl-5-(trifluoromethoxy)benzoate
CID 18925610
1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
CID 130935910
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-one
CID 118807482
benzyl 2-[[2-fluoro-5-(trifluoromethoxy)benzoyl]amino]-3-methylbutanoate
CID 118515350
2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one
CID 22953700
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one (CID 58180993) is 1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one is CC(C)C(=O)c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one?
The InChIKey is UNUJGFLGHXQMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c1-6(2)10(16)8-5-7(3-4-9(8)12)17-11(13,14)15/h3-6H,1-2H3.
What are the key properties of 1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one?
1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one has a molecular weight of 250.19 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 58180993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).