1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one

C18H16F3NO2 — CID 112808160

IUPAC1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(OCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)16-5-2-1-4-13(16)12-24-15-9-7-14(8-10-15)22-11-3-6-17(22)23/h1-2,4-5,7-10H,3,6,11-12H2
InChIKeyPMCRVVILFRHBSP-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.41
Rot. Bonds4

About 1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one

1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one (PubChem CID 112808160) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one
PubChem CID112808160
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(OCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)16-5-2-1-4-13(16)12-24-15-9-7-14(8-10-15)22-11-3-6-17(22)23/h1-2,4-5,7-10H,3,6,11-12H2
InChIKeyPMCRVVILFRHBSP-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile
CID 26686013
1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 141084193
4-(2-oxopyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 93174619
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
CID 26053591
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
CID 78885330
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine
CID 69306733
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51314093
4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43351519
1-[4-[4-(trifluoromethyl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyrrolidin-2-one
CID 176828115
(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide
CID 41104777

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one (CID 112808160) is 1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(OCc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one?
The InChIKey is PMCRVVILFRHBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)16-5-2-1-4-13(16)12-24-15-9-7-14(8-10-15)22-11-3-6-17(22)23/h1-2,4-5,7-10H,3,6,11-12H2.
What are the key properties of 1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one?
1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one has a molecular weight of 335.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 112808160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).