2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

C17H18F3N3O — CID 167962982

IUPAC2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CN1CCCC1c1ncccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)13-6-4-12(5-7-13)15(24)11-23-10-1-3-14(23)16-21-8-2-9-22-16/h2,4-9,14-15,24H,1,3,10-11H2
InChIKeyVSKDZRPRDISKNP-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.37
Rot. Bonds4

About 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 167962982) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID167962982
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CN1CCCC1c1ncccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)13-6-4-12(5-7-13)15(24)11-23-10-1-3-14(23)16-21-8-2-9-22-16/h2,4-9,14-15,24H,1,3,10-11H2
InChIKeyVSKDZRPRDISKNP-UHFFFAOYSA-N
XLogP3.37
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol
CID 154769172
(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol
CID 125142936
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
(1S)-2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 100890762
1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol
CID 62266444
2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 4311567
2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 46178982
(1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 58737422
(1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol
CID 125145320
(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol
CID 129392359
(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 94000959
(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 70247468

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 167962982) is 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(CN1CCCC1c1ncccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is VSKDZRPRDISKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)13-6-4-12(5-7-13)15(24)11-23-10-1-3-14(23)16-21-8-2-9-22-16/h2,4-9,14-15,24H,1,3,10-11H2.
What are the key properties of 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 337.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 167962982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).