1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one

C14H12F3NO2 — CID 778135

IUPAC1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one
SMILESO=C(CCNc1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)10-3-1-4-11(9-10)18-7-6-12(19)13-5-2-8-20-13/h1-5,8-9,18H,6-7H2
InChIKeyKESQRCPWXWZUHL-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.98
Rot. Bonds5

About 1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one

1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one (PubChem CID 778135) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one
PubChem CID778135
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one
SMILESO=C(CCNc1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)10-3-1-4-11(9-10)18-7-6-12(19)13-5-2-8-20-13/h1-5,8-9,18H,6-7H2
InChIKeyKESQRCPWXWZUHL-UHFFFAOYSA-N
XLogP3.98
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
The IUPAC name of 1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one (CID 778135) is 1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one is O=C(CCNc1cccc(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
The InChIKey is KESQRCPWXWZUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)10-3-1-4-11(9-10)18-7-6-12(19)13-5-2-8-20-13/h1-5,8-9,18H,6-7H2.
What are the key properties of 1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one has a molecular weight of 283.25 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-[3-(trifluoromethyl)anilino]propan-1-one is sourced from PubChem (CID 778135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).