(2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid

C20H21F2NO4 — CID 97190081

IUPAC(2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid
SMILESCOc1cc(F)ccc1[C@H](C(=O)O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C20H21F2NO4/c1-26-18-12-14(22)5-6-17(18)19(20(24)25)23-9-7-15(8-10-23)27-16-4-2-3-13(21)11-16/h2-6,11-12,15,19H,7-10H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyMOKVGXITUFMYKQ-LJQANCHMSA-N
MW377.39 g/mol
LogP3.64
Rot. Bonds6

About (2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid

(2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid (PubChem CID 97190081) has the molecular formula C20H21F2NO4 and a molecular weight of 377.39 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid
PubChem CID97190081
Molecular FormulaC20H21F2NO4
Molecular Weight377.39 g/mol
Exact Mass377.14
IUPAC Name(2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid
SMILESCOc1cc(F)ccc1[C@H](C(=O)O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C20H21F2NO4/c1-26-18-12-14(22)5-6-17(18)19(20(24)25)23-9-7-15(8-10-23)27-16-4-2-3-13(21)11-16/h2-6,11-12,15,19H,7-10H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyMOKVGXITUFMYKQ-LJQANCHMSA-N
XLogP3.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid?
The IUPAC name of (2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid (CID 97190081) is (2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid.
What is the SMILES notation for (2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid?
The canonical SMILES for (2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid is COc1cc(F)ccc1[C@H](C(=O)O)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of (2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid?
The InChIKey is MOKVGXITUFMYKQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21F2NO4/c1-26-18-12-14(22)5-6-17(18)19(20(24)25)23-9-7-15(8-10-23)27-16-4-2-3-13(21)11-16/h2-6,11-12,15,19H,7-10H2,1H3,(H,24,25)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid?
(2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid has a molecular weight of 377.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid is sourced from PubChem (CID 97190081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).