azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid

C16H16F3NO4 — CID 162540820

IUPACazane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)O.N
InChIInChI=1S/C16H13F3O4.H3N/c1-10(15(20)21)22-12-6-8-14(9-7-12)23-13-4-2-11(3-5-13)16(17,18)19;/h2-10H,1H3,(H,20,21);1H3/t10-;/m1./s1
InChIKeyUZEBFEXJXYQYIJ-HNCPQSOCSA-N
MW343.30 g/mol
LogP4.51
Rot. Bonds5

About azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid

azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid (PubChem CID 162540820) has the molecular formula C16H16F3NO4 and a molecular weight of 343.30 g/mol. Its IUPAC name is azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid.

Molecular Properties

Compound Nameazane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
PubChem CID162540820
Molecular FormulaC16H16F3NO4
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC Nameazane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)O.N
InChIInChI=1S/C16H13F3O4.H3N/c1-10(15(20)21)22-12-6-8-14(9-7-12)23-13-4-2-11(3-5-13)16(17,18)19;/h2-10H,1H3,(H,20,21);1H3/t10-;/m1./s1
InChIKeyUZEBFEXJXYQYIJ-HNCPQSOCSA-N
XLogP4.51
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanethioic S-acid
CID 20555453
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
potassium N-[2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoylamino]carbamodithioate
CID 139682382
methyl (4R)-3-oxo-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoate
CID 13472766
2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid
CID 110193293
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
2-methyl-3-[4-(trifluoromethyl)phenoxy]butanoic acid
CID 146593687
(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 158170724
2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride
CID 86740146
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoic acid
CID 12906025
N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 54337404

Frequently Asked Questions

What is the IUPAC name of azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
The IUPAC name of azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid (CID 162540820) is azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid.
What is the SMILES notation for azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
The canonical SMILES for azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid is C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)O.N.
What is the InChIKey of azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
The InChIKey is UZEBFEXJXYQYIJ-HNCPQSOCSA-N. The full InChI is InChI=1S/C16H13F3O4.H3N/c1-10(15(20)21)22-12-6-8-14(9-7-12)23-13-4-2-11(3-5-13)16(17,18)19;/h2-10H,1H3,(H,20,21);1H3/t10-;/m1./s1.
What are the key properties of azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid has a molecular weight of 343.30 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid is sourced from PubChem (CID 162540820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).