2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid

C20H20F3NO3 — CID 51348447

IUPAC2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H20F3NO3/c21-20(22,23)15-4-1-3-14(11-15)13-27-18-8-6-16(7-9-18)24-10-2-5-17(24)12-19(25)26/h1,3-4,6-9,11,17H,2,5,10,12-13H2,(H,25,26)
InChIKeyFSZGDMRCPNZHAD-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.73
Rot. Bonds6

About 2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid

2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid (PubChem CID 51348447) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
PubChem CID51348447
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H20F3NO3/c21-20(22,23)15-4-1-3-14(11-15)13-27-18-8-6-16(7-9-18)24-10-2-5-17(24)12-19(25)26/h1,3-4,6-9,11,17H,2,5,10,12-13H2,(H,25,26)
InChIKeyFSZGDMRCPNZHAD-UHFFFAOYSA-N
XLogP4.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-1-[4-[[3-(2-fluorophenoxy)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218656
2-[1-[4-[[2-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 51347705
2-[1-[4-[[4-chloro-6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 51348739
2-[(2S)-1-[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 67085416
2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 51347255
1-[1-[4-[[3-[(2-fluorophenyl)methyl]phenyl]methoxy]phenyl]pyrrolidin-2-yl]propan-2-one
CID 58218553
2-[(2S)-1-[4-(3-bromophenoxy)phenyl]pyrrolidin-2-yl]acetic acid
CID 58218624
2-[(2R)-1-[4-(2-benzylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid
CID 58218592
2-[1-[4-(naphthalen-2-ylmethyl)phenyl]pyrrolidin-2-yl]acetic acid
CID 51348596
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 168942281
3-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 51001912

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid (CID 51348447) is 2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1c1ccc(OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is FSZGDMRCPNZHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c21-20(22,23)15-4-1-3-14(11-15)13-27-18-8-6-16(7-9-18)24-10-2-5-17(24)12-19(25)26/h1,3-4,6-9,11,17H,2,5,10,12-13H2,(H,25,26).
What are the key properties of 2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid?
2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 379.38 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 51348447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).