5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid

C19H23F4NO6 — CID 70270977

IUPAC5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc(OCC(F)(F)F)c(C(=O)O)cc2F)CC1
InChIInChI=1S/C19H23F4NO6/c1-18(2,3)30-17(27)24-6-4-11(5-7-24)29-15-9-14(28-10-19(21,22)23)12(16(25)26)8-13(15)20/h8-9,11H,4-7,10H2,1-3H3,(H,25,26)
InChIKeyLVXYXECPDGIMHE-UHFFFAOYSA-N
MW437.39 g/mol
LogP4.24
Rot. Bonds5

About 5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid

5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid (PubChem CID 70270977) has the molecular formula C19H23F4NO6 and a molecular weight of 437.39 g/mol. Its IUPAC name is 5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid.

Molecular Properties

Compound Name5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid
PubChem CID70270977
Molecular FormulaC19H23F4NO6
Molecular Weight437.39 g/mol
Exact Mass437.15
IUPAC Name5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc(OCC(F)(F)F)c(C(=O)O)cc2F)CC1
InChIInChI=1S/C19H23F4NO6/c1-18(2,3)30-17(27)24-6-4-11(5-7-24)29-15-9-14(28-10-19(21,22)23)12(16(25)26)8-13(15)20/h8-9,11H,4-7,10H2,1-3H3,(H,25,26)
InChIKeyLVXYXECPDGIMHE-UHFFFAOYSA-N
XLogP4.24
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[4-acetyl-2-fluoro-5-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carboxylate
CID 70272574
tert-butyl 4-[4-cyano-2-fluoro-5-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carboxylate
CID 70272369
5-chloro-2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 59564264
tert-butyl 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 118120726
2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 10545874
tert-butyl 4-[4-(bromomethyl)-3-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 18700084
2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid
CID 18700142
tert-butyl 4-(4-chloro-3-fluorophenoxy)piperidine-1-carboxylate
CID 24902450
tert-butyl 4-(2-cyano-3-fluoro-5-methoxyphenoxy)piperidine-1-carboxylate
CID 121409483
tert-butyl 3-(2,4,5-trifluorophenoxy)azetidine-1-carboxylate
CID 24902669
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
tert-butyl 4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine-1-carboxylate
CID 118359717

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid?
The IUPAC name of 5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid (CID 70270977) is 5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid.
What is the SMILES notation for 5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid?
The canonical SMILES for 5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid is CC(C)(C)OC(=O)N1CCC(Oc2cc(OCC(F)(F)F)c(C(=O)O)cc2F)CC1.
What is the InChIKey of 5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid?
The InChIKey is LVXYXECPDGIMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F4NO6/c1-18(2,3)30-17(27)24-6-4-11(5-7-24)29-15-9-14(28-10-19(21,22)23)12(16(25)26)8-13(15)20/h8-9,11H,4-7,10H2,1-3H3,(H,25,26).
What are the key properties of 5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid?
5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid has a molecular weight of 437.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)benzoic acid is sourced from PubChem (CID 70270977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).