(2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one

C17H22F3NO2 — CID 97098115

IUPAC(2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC[C@]1(C(F)(F)F)CCCN1C(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C17H22F3NO2/c1-3-10-16(17(18,19)20)11-7-12-21(16)15(22)13(2)23-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyMIRZNFXNRJKJHQ-CZUORRHYSA-N
MW329.36 g/mol
LogP4.18
Rot. Bonds5

About (2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one

(2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 97098115) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID97098115
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name(2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC[C@]1(C(F)(F)F)CCCN1C(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C17H22F3NO2/c1-3-10-16(17(18,19)20)11-7-12-21(16)15(22)13(2)23-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyMIRZNFXNRJKJHQ-CZUORRHYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 71914040
[(1R)-cyclohex-3-en-1-yl]-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 97098119
N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 78864188
1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433322
2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 115267106
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine
CID 126986369
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
N-ethyl-2-phenoxypropanamide
CID 4282518

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one (CID 97098115) is (2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one is CCC[C@]1(C(F)(F)F)CCCN1C(=O)[C@@H](C)Oc1ccccc1.
What is the InChIKey of (2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is MIRZNFXNRJKJHQ-CZUORRHYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-3-10-16(17(18,19)20)11-7-12-21(16)15(22)13(2)23-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of (2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
(2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 329.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 97098115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).