2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine

C20H19F6NO — CID 19960152

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCCN2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H19F6NO/c21-19(22,23)16-9-14(10-17(11-16)20(24,25)26)12-28-13-18(7-4-8-27-18)15-5-2-1-3-6-15/h1-3,5-6,9-11,27H,4,7-8,12-13H2
InChIKeyHOJXDVPSQSRWNU-UHFFFAOYSA-N
MW403.37 g/mol
LogP5.52
Rot. Bonds5

About 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine

2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine (PubChem CID 19960152) has the molecular formula C20H19F6NO and a molecular weight of 403.37 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine
PubChem CID19960152
Molecular FormulaC20H19F6NO
Molecular Weight403.37 g/mol
Exact Mass403.14
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCCN2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H19F6NO/c21-19(22,23)16-9-14(10-17(11-16)20(24,25)26)12-28-13-18(7-4-8-27-18)15-5-2-1-3-6-15/h1-3,5-6,9-11,27H,4,7-8,12-13H2
InChIKeyHOJXDVPSQSRWNU-UHFFFAOYSA-N
XLogP5.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.37
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane
CID 11654898
(3S,5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenylpyrrolidin-3-amine
CID 58633749
1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 71583093
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylimidazolidin-2-one
CID 22960728
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-piperidin-1-ylimidazolidin-2-one
CID 154533305
[(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid
CID 10234709
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one
CID 22960743
3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline
CID 143563799
4-[[3-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24783931
(3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-3-phenylazepane
CID 71583096
(3aS,4S,7R,7aR)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-7-methyl-4-phenyl-2,3,3a,5,6,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-7-ol
CID 15504688
4-[[3-(3,5-dibromophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24784705

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine (CID 19960152) is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCCN2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine?
The InChIKey is HOJXDVPSQSRWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6NO/c21-19(22,23)16-9-14(10-17(11-16)20(24,25)26)12-28-13-18(7-4-8-27-18)15-5-2-1-3-6-15/h1-3,5-6,9-11,27H,4,7-8,12-13H2.
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine?
2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine has a molecular weight of 403.37 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine is sourced from PubChem (CID 19960152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).