(2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid

C16H11ClF4O4 — CID 67881161

IUPAC(2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
SMILESC[C@@H](Oc1cccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)c1)C(=O)O
InChIInChI=1S/C16H11ClF4O4/c1-8(15(22)23)24-10-3-2-4-11(7-10)25-14-12(17)5-9(6-13(14)18)16(19,20)21/h2-8H,1H3,(H,22,23)/t8-/m1/s1
InChIKeyYGBHMRKPQZDVPG-MRVPVSSYSA-N
MW378.71 g/mol
LogP5.14
Rot. Bonds5

About (2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid

(2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid (PubChem CID 67881161) has the molecular formula C16H11ClF4O4 and a molecular weight of 378.71 g/mol. Its IUPAC name is (2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
PubChem CID67881161
Molecular FormulaC16H11ClF4O4
Molecular Weight378.71 g/mol
Exact Mass378.03
IUPAC Name(2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
SMILESC[C@@H](Oc1cccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)c1)C(=O)O
InChIInChI=1S/C16H11ClF4O4/c1-8(15(22)23)24-10-3-2-4-11(7-10)25-14-12(17)5-9(6-13(14)18)16(19,20)21/h2-8H,1H3,(H,22,23)/t8-/m1/s1
InChIKeyYGBHMRKPQZDVPG-MRVPVSSYSA-N
XLogP5.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.71
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid with MolForge

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Related Compounds

1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene
CID 90892102
3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol
CID 14878507
2,6-bis[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenyl]-3,5-didiazoheptan-4-one
CID 139624510
2-[6-[2,6-dichloro-3-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid
CID 19978816
4-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]indazol-1-yl]-2-methylbutanoic acid
CID 67866920
methyl 2-[4-[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]phenoxy]propanoate
CID 15278962
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
CID 139615369
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetic acid;methane
CID 19083128
methyl 2-[3-(2,4,6-trichlorophenoxy)phenoxy]propanoate
CID 57018174
2-[1-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid
CID 68773985
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide
CID 19018497

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid (CID 67881161) is (2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid is C[C@@H](Oc1cccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)c1)C(=O)O.
What is the InChIKey of (2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
The InChIKey is YGBHMRKPQZDVPG-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H11ClF4O4/c1-8(15(22)23)24-10-3-2-4-11(7-10)25-14-12(17)5-9(6-13(14)18)16(19,20)21/h2-8H,1H3,(H,22,23)/t8-/m1/s1.
What are the key properties of (2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
(2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid has a molecular weight of 378.71 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid is sourced from PubChem (CID 67881161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).