2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid

C9H6Cl2F2O3 — CID 119020580

IUPAC2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cl)c(OC(F)F)c1Cl
InChIInChI=1S/C9H6Cl2F2O3/c10-5-2-1-4(3-6(14)15)7(11)8(5)16-9(12)13/h1-2,9H,3H2,(H,14,15)
InChIKeyHZQRWHJIBFBTGS-UHFFFAOYSA-N
MW271.05 g/mol
LogP3.22
Rot. Bonds4

About 2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid

2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid (PubChem CID 119020580) has the molecular formula C9H6Cl2F2O3 and a molecular weight of 271.05 g/mol. Its IUPAC name is 2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
PubChem CID119020580
Molecular FormulaC9H6Cl2F2O3
Molecular Weight271.05 g/mol
Exact Mass269.97
IUPAC Name2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cl)c(OC(F)F)c1Cl
InChIInChI=1S/C9H6Cl2F2O3/c10-5-2-1-4(3-6(14)15)7(11)8(5)16-9(12)13/h1-2,9H,3H2,(H,14,15)
InChIKeyHZQRWHJIBFBTGS-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.05
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(bromomethyl)-3-chloro-2-(difluoromethoxy)phenyl]acetic acid
CID 171019584
2-[3-(bromomethyl)-6-chloro-2-(difluoromethoxy)phenyl]acetic acid
CID 171019858
(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129554
2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 121228253
2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid
CID 171000608
2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid
CID 171005263
2-(2-bromo-3,4-dichlorophenyl)acetic acid
CID 54442363
2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid
CID 171003435
2,4-dichloro-3-(difluoromethoxy)benzonitrile
CID 119009629
2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene
CID 174356728
1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene
CID 118807817
2-[5-chloro-2-(difluoromethoxy)-4-methylphenyl]acetic acid
CID 171005300

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid (CID 119020580) is 2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid is O=C(O)Cc1ccc(Cl)c(OC(F)F)c1Cl.
What is the InChIKey of 2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid?
The InChIKey is HZQRWHJIBFBTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F2O3/c10-5-2-1-4(3-6(14)15)7(11)8(5)16-9(12)13/h1-2,9H,3H2,(H,14,15).
What are the key properties of 2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid?
2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid has a molecular weight of 271.05 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 119020580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).