pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone

C16H19F3N2O — CID 42680057

IUPACpyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
SMILESO=C(C1CNCC1c1cccc(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)12-5-3-4-11(8-12)13-9-20-10-14(13)15(22)21-6-1-2-7-21/h3-5,8,13-14,20H,1-2,6-7,9-10H2
InChIKeyWKCWCHGOUIUCHG-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.63
Rot. Bonds2

About pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone

pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone (PubChem CID 42680057) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
PubChem CID42680057
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Namepyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
SMILESO=C(C1CNCC1c1cccc(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)12-5-3-4-11(8-12)13-9-20-10-14(13)15(22)21-6-1-2-7-21/h3-5,8,13-14,20H,1-2,6-7,9-10H2
InChIKeyWKCWCHGOUIUCHG-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
CID 42825253
N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825255
[4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42680068
[4-(4-methylphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 42656377
N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825250
(3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide
CID 71064710
[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 67620790
[(3R)-3-methylpiperazin-1-yl]-[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124620612
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 123600972
[4-(methylamino)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119561835
cyclopropyl-[(3S,4R)-3-(4-methylpiperazine-1-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 97478969
N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825254

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone (CID 42680057) is pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone is O=C(C1CNCC1c1cccc(C(F)(F)F)c1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone?
The InChIKey is WKCWCHGOUIUCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c17-16(18,19)12-5-3-4-11(8-12)13-9-20-10-14(13)15(22)21-6-1-2-7-21/h3-5,8,13-14,20H,1-2,6-7,9-10H2.
What are the key properties of pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone?
pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone has a molecular weight of 312.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 42680057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).