2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide

C14H16F4N2O — CID 86671686

IUPAC2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide
SMILESO=C(NCc1cc(F)cc(C2CCNCC2)c1)C(F)(F)F
InChIInChI=1S/C14H16F4N2O/c15-12-6-9(8-20-13(21)14(16,17)18)5-11(7-12)10-1-3-19-4-2-10/h5-7,10,19H,1-4,8H2,(H,20,21)
InChIKeyKPLXACIQHKIKCF-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.47
Rot. Bonds3

About 2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide

2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide (PubChem CID 86671686) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide
PubChem CID86671686
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide
SMILESO=C(NCc1cc(F)cc(C2CCNCC2)c1)C(F)(F)F
InChIInChI=1S/C14H16F4N2O/c15-12-6-9(8-20-13(21)14(16,17)18)5-11(7-12)10-1-3-19-4-2-10/h5-7,10,19H,1-4,8H2,(H,20,21)
InChIKeyKPLXACIQHKIKCF-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide (CID 86671686) is 2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide is O=C(NCc1cc(F)cc(C2CCNCC2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide?
The InChIKey is KPLXACIQHKIKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-12-6-9(8-20-13(21)14(16,17)18)5-11(7-12)10-1-3-19-4-2-10/h5-7,10,19H,1-4,8H2,(H,20,21).
What are the key properties of 2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide?
2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide has a molecular weight of 304.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 86671686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).