[(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone

C24H19F6N3O2 — CID 166810468

IUPAC[(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
SMILESCc1cc(C(F)(F)F)ccc1OC[C@H]1N(C(=O)c2cc(F)ccc2-c2ncccn2)CCC1(F)F
InChIInChI=1S/C24H19F6N3O2/c1-14-11-15(24(28,29)30)3-6-19(14)35-13-20-23(26,27)7-10-33(20)22(34)18-12-16(25)4-5-17(18)21-31-8-2-9-32-21/h2-6,8-9,11-12,20H,7,10,13H2,1H3/t20-/m1/s1
InChIKeyZVOJYNCURHLWFQ-HXUWFJFHSA-N
MW495.42 g/mol
LogP5.54
Rot. Bonds5

About [(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone

[(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone (PubChem CID 166810468) has the molecular formula C24H19F6N3O2 and a molecular weight of 495.42 g/mol. Its IUPAC name is [(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
PubChem CID166810468
Molecular FormulaC24H19F6N3O2
Molecular Weight495.42 g/mol
Exact Mass495.14
IUPAC Name[(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
SMILESCc1cc(C(F)(F)F)ccc1OC[C@H]1N(C(=O)c2cc(F)ccc2-c2ncccn2)CCC1(F)F
InChIInChI=1S/C24H19F6N3O2/c1-14-11-15(24(28,29)30)3-6-19(14)35-13-20-23(26,27)7-10-33(20)22(34)18-12-16(25)4-5-17(18)21-31-8-2-9-32-21/h2-6,8-9,11-12,20H,7,10,13H2,1H3/t20-/m1/s1
InChIKeyZVOJYNCURHLWFQ-HXUWFJFHSA-N
XLogP5.54
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-3,3-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 118865510
[(2R)-3,3-difluoro-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidin-1-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 157267037
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 130342040
(5-methyl-2-pyrimidin-2-ylphenyl)-[8-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methanone
CID 66848761
[3,3-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 163502547
[(2S,5R)-2-[(2,4-difluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 130318707
[2-(5,6-didehydropyrimidin-2-yl)-5-methylphenyl]-[(2R)-3,3-difluoro-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 166810676
(5-methyl-2-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025218
(5-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123174792
[(2S,6S)-2,6-dimethyl-3-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]morpholin-4-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 176684524
(5-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123536705
[(2R)-3,3-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118891980

Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone (CID 166810468) is [(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone is Cc1cc(C(F)(F)F)ccc1OC[C@H]1N(C(=O)c2cc(F)ccc2-c2ncccn2)CCC1(F)F.
What is the InChIKey of [(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is ZVOJYNCURHLWFQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H19F6N3O2/c1-14-11-15(24(28,29)30)3-6-19(14)35-13-20-23(26,27)7-10-33(20)22(34)18-12-16(25)4-5-17(18)21-31-8-2-9-32-21/h2-6,8-9,11-12,20H,7,10,13H2,1H3/t20-/m1/s1.
What are the key properties of [(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
[(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 495.42 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3-difluoro-2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 166810468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).