[4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate

C19H16F3NO2 — CID 134362450

IUPAC[4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CC=C(c2ccc(-c3ccccc3)cc2)CC1)C(F)(F)F
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)18(24)25-23-12-10-17(11-13-23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10H,11-13H2
InChIKeyBKXPJEBMOGBPEM-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.46
Rot. Bonds3

About [4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate

[4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 134362450) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is [4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate
PubChem CID134362450
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name[4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CC=C(c2ccc(-c3ccccc3)cc2)CC1)C(F)(F)F
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)18(24)25-23-12-10-17(11-13-23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10H,11-13H2
InChIKeyBKXPJEBMOGBPEM-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Lithium 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate
CID 44303910
2-[Methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid
CID 21019876
2-(3-(Phenyl(4-(trifluoromethyl)-phenyl)methyl)piperidin-1-yl)acetic acid
CID 42641648
2-(4-(Phenyl(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)acetic acid
CID 42641652
(Dibenzylamino) 2,2,2-trifluoroacetate
CID 57038563
[(4-Phenylphenyl)methylamino] 2,2,2-trifluoroacetate
CID 57216456
(4-Phenylpiperidin-1-yl) 2,2,2-trifluoroacetate
CID 57289962
Methyl 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate
CID 59941158
[3-[[4-(Trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl] acetate
CID 67170982
(4-Benzhydrylidenepiperidin-1-yl) 2,2,2-trifluoroacetate
CID 67359011
[4-[[4-(Trifluoromethyl)phenyl]methyl]piperidin-1-yl] acetate
CID 69351748
[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate
CID 87510173

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate (CID 134362450) is [4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate is O=C(ON1CC=C(c2ccc(-c3ccccc3)cc2)CC1)C(F)(F)F.
What is the InChIKey of [4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is BKXPJEBMOGBPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c20-19(21,22)18(24)25-23-12-10-17(11-13-23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10H,11-13H2.
What are the key properties of [4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate?
[4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 347.34 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 134362450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).