(4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone

C17H15F4NO2 — CID 10359949

IUPAC(4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(c2ccc(C(F)(F)F)o2)CC1
InChIInChI=1S/C17H15F4NO2/c18-13-3-1-11(2-4-13)16(23)12-7-9-22(10-8-12)15-6-5-14(24-15)17(19,20)21/h1-6,12H,7-10H2
InChIKeyVTGQTXIVZMMLNG-UHFFFAOYSA-N
MW341.30 g/mol
LogP4.54
Rot. Bonds3

About (4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone (PubChem CID 10359949) has the molecular formula C17H15F4NO2 and a molecular weight of 341.30 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone
PubChem CID10359949
Molecular FormulaC17H15F4NO2
Molecular Weight341.30 g/mol
Exact Mass341.10
IUPAC Name(4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(c2ccc(C(F)(F)F)o2)CC1
InChIInChI=1S/C17H15F4NO2/c18-13-3-1-11(2-4-13)16(23)12-7-9-22(10-8-12)15-6-5-14(24-15)17(19,20)21/h1-6,12H,7-10H2
InChIKeyVTGQTXIVZMMLNG-UHFFFAOYSA-N
XLogP4.54
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone (CID 10359949) is (4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(c2ccc(C(F)(F)F)o2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone?
The InChIKey is VTGQTXIVZMMLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO2/c18-13-3-1-11(2-4-13)16(23)12-7-9-22(10-8-12)15-6-5-14(24-15)17(19,20)21/h1-6,12H,7-10H2.
What are the key properties of (4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone has a molecular weight of 341.30 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 10359949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).