1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone

C16H15F3N2O — CID 56604616

IUPAC1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1
InChIInChI=1S/C16H15F3N2O/c1-10(22)11-4-6-12(7-5-11)14-8-13(16(17,18)19)9-15(20-14)21(2)3/h4-9H,1-3H3
InChIKeySPUGYYXXQRGIKI-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.04
Rot. Bonds3

About 1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone

1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone (PubChem CID 56604616) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone
PubChem CID56604616
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1
InChIInChI=1S/C16H15F3N2O/c1-10(22)11-4-6-12(7-5-11)14-8-13(16(17,18)19)9-15(20-14)21(2)3/h4-9H,1-3H3
InChIKeySPUGYYXXQRGIKI-UHFFFAOYSA-N
XLogP4.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone?
The IUPAC name of 1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone (CID 56604616) is 1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone is CC(=O)c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1.
What is the InChIKey of 1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone?
The InChIKey is SPUGYYXXQRGIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-10(22)11-4-6-12(7-5-11)14-8-13(16(17,18)19)9-15(20-14)21(2)3/h4-9H,1-3H3.
What are the key properties of 1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone?
1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone has a molecular weight of 308.30 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone is sourced from PubChem (CID 56604616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).