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

C20H20F3NO — CID 55989486

IUPAC2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(CN1CC=C(c2ccccc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H20F3NO/c21-20(22,23)18-9-5-4-8-17(18)19(25)14-24-12-10-16(11-13-24)15-6-2-1-3-7-15/h1-10,19,25H,11-14H2
InChIKeyLDLNOCLSFLPRQK-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.53
Rot. Bonds4

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

2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 55989486) has the molecular formula C20H20F3NO and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID55989486
Molecular FormulaC20H20F3NO
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(CN1CC=C(c2ccccc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H20F3NO/c21-20(22,23)18-9-5-4-8-17(18)19(25)14-24-12-10-16(11-13-24)15-6-2-1-3-7-15/h1-10,19,25H,11-14H2
InChIKeyLDLNOCLSFLPRQK-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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Related Compounds

2-[1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one
CID 23371608
(1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 52532585
1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine
CID 110177591
(1R)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1-[2-(trifluoromethyl)phenyl]ethanol
CID 94866467
1-[4-[chloro(phenyl)methyl]phenyl]-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 67893663
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616
(1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol
CID 100842404
1-(2-methylphenoxy)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
CID 21465447
1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 134158894
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 52538350

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 55989486) is 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is OC(CN1CC=C(c2ccccc2)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is LDLNOCLSFLPRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO/c21-20(22,23)18-9-5-4-8-17(18)19(25)14-24-12-10-16(11-13-24)15-6-2-1-3-7-15/h1-10,19,25H,11-14H2.
What are the key properties of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]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 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 55989486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).