2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid

C15H10ClF3O4 — CID 14030466

IUPAC2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H10ClF3O4/c16-12-7-9(15(17,18)19)1-6-13(12)23-11-4-2-10(3-5-11)22-8-14(20)21/h1-7H,8H2,(H,20,21)
InChIKeyAGUKIFSCXOMSIT-UHFFFAOYSA-N
MW346.69 g/mol
LogP4.61
Rot. Bonds5

About 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid

2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid (PubChem CID 14030466) has the molecular formula C15H10ClF3O4 and a molecular weight of 346.69 g/mol. Its IUPAC name is 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid
PubChem CID14030466
Molecular FormulaC15H10ClF3O4
Molecular Weight346.69 g/mol
Exact Mass346.02
IUPAC Name2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H10ClF3O4/c16-12-7-9(15(17,18)19)1-6-13(12)23-11-4-2-10(3-5-11)22-8-14(20)21/h1-7H,8H2,(H,20,21)
InChIKeyAGUKIFSCXOMSIT-UHFFFAOYSA-N
XLogP4.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Chloro-4-methylphenoxy)acetic acid
CID 248361
(4-Tert-butyl-2-chlorophenoxy)acetic acid
CID 230818
2-(2-Chloro-6-methylphenoxy)acetic acid
CID 87930
2-(2-Chloro-4-phenylphenoxy)acetic acid
CID 4962227
4-[2-Chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
2-(2-Chloro-4-methylphenoxy)propanoic acid
CID 22118240
[2-Chloro-4-(hydroxymethyl)phenoxy]acetic acid
CID 900372
(2-Chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate
CID 2358458
Ethyl 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropanoate
CID 58244309
Succinic acid, 1,1,1-trifluoroprop-2-yl 2-chloro-4-methylphenyl ester
CID 91732430
Succinic acid, 2,2,3,3-tetrafluoropropyl 2-chloro-4-methylphenyl ester
CID 91734974
2-Chloro-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene
CID 20524725

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid (CID 14030466) is 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid is O=C(O)COc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid?
The InChIKey is AGUKIFSCXOMSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O4/c16-12-7-9(15(17,18)19)1-6-13(12)23-11-4-2-10(3-5-11)22-8-14(20)21/h1-7H,8H2,(H,20,21).
What are the key properties of 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid?
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid has a molecular weight of 346.69 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]acetic acid is sourced from PubChem (CID 14030466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).