3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one

C14H11F3O3 — CID 105098497

IUPAC3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one
SMILESO=C(CCc1ccco1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H11F3O3/c15-14(16,17)20-12-4-1-3-10(9-12)13(18)7-6-11-5-2-8-19-11/h1-5,8-9H,6-7H2
InChIKeyPFYRURNXWCLAMC-UHFFFAOYSA-N
MW284.23 g/mol
LogP3.99
Rot. Bonds5

About 3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one

3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 105098497) has the molecular formula C14H11F3O3 and a molecular weight of 284.23 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID105098497
Molecular FormulaC14H11F3O3
Molecular Weight284.23 g/mol
Exact Mass284.07
IUPAC Name3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one
SMILESO=C(CCc1ccco1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H11F3O3/c15-14(16,17)20-12-4-1-3-10(9-12)13(18)7-6-11-5-2-8-19-11/h1-5,8-9H,6-7H2
InChIKeyPFYRURNXWCLAMC-UHFFFAOYSA-N
XLogP3.99
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-[3-(trifluoromethoxy)phenyl]heptan-1-one
CID 24726789
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
2-(4-chlorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 63411353
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
CID 105095849
furan-2-ylmethyl 3-(difluoromethoxy)benzoate
CID 2309813
3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097418
2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971356
2-azido-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 86632013
3-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 114971379
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-one
CID 105121476
2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971407

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one (CID 105098497) is 3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one is O=C(CCc1ccco1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is PFYRURNXWCLAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O3/c15-14(16,17)20-12-4-1-3-10(9-12)13(18)7-6-11-5-2-8-19-11/h1-5,8-9H,6-7H2.
What are the key properties of 3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one?
3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 284.23 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 105098497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).