(3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone

C20H20F3NO2 — CID 15986673

IUPAC(3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
SMILESCC(O)(c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1)C(F)(F)F
InChIInChI=1S/C20H20F3NO2/c1-19(26,20(21,22)23)17-9-7-15(8-10-17)18(25)24-12-11-16(13-24)14-5-3-2-4-6-14/h2-10,16,26H,11-13H2,1H3
InChIKeyWJGZDQGPHKFATO-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.09
Rot. Bonds3

About (3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone

(3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone (PubChem CID 15986673) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is (3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
PubChem CID15986673
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name(3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
SMILESCC(O)(c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1)C(F)(F)F
InChIInChI=1S/C20H20F3NO2/c1-19(26,20(21,22)23)17-9-7-15(8-10-17)18(25)24-12-11-16(13-24)14-5-3-2-4-6-14/h2-10,16,26H,11-13H2,1H3
InChIKeyWJGZDQGPHKFATO-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(4-fluoropiperidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
CID 143379605
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
[4-[1-hydroxy-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 134080726
(3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone
CID 71998180
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
(4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 129355029
[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone
CID 138473835
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
4-[(3R)-1-(3,5-difluoro-4-methoxybenzoyl)pyrrolidin-3-yl]benzoic acid
CID 95725573
(3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154872305

Frequently Asked Questions

What is the IUPAC name of (3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone?
The IUPAC name of (3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone (CID 15986673) is (3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone.
What is the SMILES notation for (3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone?
The canonical SMILES for (3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone is CC(O)(c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1)C(F)(F)F.
What is the InChIKey of (3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone?
The InChIKey is WJGZDQGPHKFATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-19(26,20(21,22)23)17-9-7-15(8-10-17)18(25)24-12-11-16(13-24)14-5-3-2-4-6-14/h2-10,16,26H,11-13H2,1H3.
What are the key properties of (3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone?
(3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone has a molecular weight of 363.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone is sourced from PubChem (CID 15986673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).