1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol

C20H20F3NO — CID 23362150

IUPAC1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESOC(CN1CC=C(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C20H20F3NO/c21-20(22,23)18-8-4-7-17(13-18)15-9-11-24(12-10-15)14-19(25)16-5-2-1-3-6-16/h1-9,13,19,25H,10-12,14H2
InChIKeyCUZIPQSITXOORQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.53
Rot. Bonds4

About 1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol

1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol (PubChem CID 23362150) has the molecular formula C20H20F3NO and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol
PubChem CID23362150
Molecular FormulaC20H20F3NO
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESOC(CN1CC=C(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C20H20F3NO/c21-20(22,23)18-8-4-7-17(13-18)15-9-11-24(12-10-15)14-19(25)16-5-2-1-3-6-16/h1-9,13,19,25H,10-12,14H2
InChIKeyCUZIPQSITXOORQ-UHFFFAOYSA-N
XLogP4.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The IUPAC name of 1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol (CID 23362150) is 1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol.
What is the SMILES notation for 1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The canonical SMILES for 1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol is OC(CN1CC=C(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The InChIKey is CUZIPQSITXOORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO/c21-20(22,23)18-8-4-7-17(13-18)15-9-11-24(12-10-15)14-19(25)16-5-2-1-3-6-16/h1-9,13,19,25H,10-12,14H2.
What are the key properties of 1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol?
1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol has a molecular weight of 347.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanol is sourced from PubChem (CID 23362150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).