[1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone

C19H16F3NO2 — CID 1438295

IUPAC[1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C19H16F3NO2/c20-14-6-4-12(5-7-14)18(24)13-8-10-23(11-9-13)19(25)17-15(21)2-1-3-16(17)22/h1-7,13H,8-11H2
InChIKeyVFOOBEOUDKCUIS-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.84
Rot. Bonds3

About [1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone

[1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 1438295) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is [1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID1438295
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name[1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C19H16F3NO2/c20-14-6-4-12(5-7-14)18(24)13-8-10-23(11-9-13)19(25)17-15(21)2-1-3-16(17)22/h1-7,13H,8-11H2
InChIKeyVFOOBEOUDKCUIS-UHFFFAOYSA-N
XLogP3.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone (CID 1438295) is [1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of [1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is VFOOBEOUDKCUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c20-14-6-4-12(5-7-14)18(24)13-8-10-23(11-9-13)19(25)17-15(21)2-1-3-16(17)22/h1-7,13H,8-11H2.
What are the key properties of [1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 347.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 1438295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).