1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one

C10H9F3O2 — CID 15039471

IUPAC1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one
SMILESCOC(C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H9F3O2/c1-15-8(9(14)10(11,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyWCOSVPPZCPYAQU-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.51
Rot. Bonds3

About 1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one

1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one (PubChem CID 15039471) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one
PubChem CID15039471
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one
SMILESCOC(C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H9F3O2/c1-15-8(9(14)10(11,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyWCOSVPPZCPYAQU-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methoxyphenylacetic acid
CID 107202
Methyl Benzoin
CID 98097
Phenylacetylcarbinol, (-)-
CID 9920426
Benzoic acid, acetylmethyl ester
CID 23137
(1S)-1-hydroxy-1-phenylpropan-2-one
CID 9815225
Mosher's acid
CID 86531
1-Hydroxy-1-phenyl-2-propanone
CID 92733
1-(Benzyloxy)propan-2-one
CID 3691284
alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride, (S)-(+)-
CID 2724611
(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride
CID 3080792
2,2-Dimethyl-5-phenyloxolan-3-one
CID 568892
Benzoic acid, fluoroacetylmethyl ester
CID 44080

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one (CID 15039471) is 1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one is COC(C(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one?
The InChIKey is WCOSVPPZCPYAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-15-8(9(14)10(11,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of 1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one?
1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one has a molecular weight of 218.17 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-one is sourced from PubChem (CID 15039471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).