2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid

C9H6BrClF2O3 — CID 171000608

IUPAC2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1c(Cl)ccc(OC(F)F)c1Br
InChIInChI=1S/C9H6BrClF2O3/c10-8-4(3-7(14)15)5(11)1-2-6(8)16-9(12)13/h1-2,9H,3H2,(H,14,15)
InChIKeyXNVXFPOCYXFMTI-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.33
Rot. Bonds4

About 2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid

2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid (PubChem CID 171000608) has the molecular formula C9H6BrClF2O3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid
PubChem CID171000608
Molecular FormulaC9H6BrClF2O3
Molecular Weight315.50 g/mol
Exact Mass313.92
IUPAC Name2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1c(Cl)ccc(OC(F)F)c1Br
InChIInChI=1S/C9H6BrClF2O3/c10-8-4(3-7(14)15)5(11)1-2-6(8)16-9(12)13/h1-2,9H,3H2,(H,14,15)
InChIKeyXNVXFPOCYXFMTI-UHFFFAOYSA-N
XLogP3.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(bromomethyl)-6-chloro-2-(difluoromethoxy)phenyl]acetic acid
CID 171019858
1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone
CID 131586322
2-[6-(bromomethyl)-3-chloro-2-(difluoromethoxy)phenyl]acetic acid
CID 171019584
1-[2-bromo-3-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131586320
2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
CID 119020580
methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171010904
2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid
CID 119021333
2-[2-chloro-6-(difluoromethoxy)-4-nitrophenyl]acetic acid
CID 171007607
2-[5-chloro-2-(difluoromethoxy)-4-methylphenyl]acetic acid
CID 171005300
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613
2-[2-amino-3-cyano-6-(difluoromethoxy)phenyl]acetic acid
CID 171022267
methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate
CID 134634019

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid (CID 171000608) is 2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid is O=C(O)Cc1c(Cl)ccc(OC(F)F)c1Br.
What is the InChIKey of 2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid?
The InChIKey is XNVXFPOCYXFMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF2O3/c10-8-4(3-7(14)15)5(11)1-2-6(8)16-9(12)13/h1-2,9H,3H2,(H,14,15).
What are the key properties of 2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid?
2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid has a molecular weight of 315.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 171000608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).