2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid

C9H6ClF3O3 — CID 171003435

IUPAC2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid
SMILESO=C(O)Cc1cc(OC(F)F)cc(F)c1Cl
InChIInChI=1S/C9H6ClF3O3/c10-8-4(2-7(14)15)1-5(3-6(8)11)16-9(12)13/h1,3,9H,2H2,(H,14,15)
InChIKeyQZCWBINMCVLTFS-UHFFFAOYSA-N
MW254.59 g/mol
LogP2.71
Rot. Bonds4

About 2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid

2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid (PubChem CID 171003435) has the molecular formula C9H6ClF3O3 and a molecular weight of 254.59 g/mol. Its IUPAC name is 2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid
PubChem CID171003435
Molecular FormulaC9H6ClF3O3
Molecular Weight254.59 g/mol
Exact Mass254.00
IUPAC Name2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid
SMILESO=C(O)Cc1cc(OC(F)F)cc(F)c1Cl
InChIInChI=1S/C9H6ClF3O3/c10-8-4(2-7(14)15)1-5(3-6(8)11)16-9(12)13/h1,3,9H,2H2,(H,14,15)
InChIKeyQZCWBINMCVLTFS-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(difluoromethoxy)-3-fluoro-2-formylphenyl]acetic acid
CID 171026289
2-[3-(bromomethyl)-5-(difluoromethoxy)-2-methylphenyl]acetic acid
CID 171023330
2-[3-(chloromethyl)-5-(difluoromethoxy)-2-nitrophenyl]acetic acid
CID 171021323
ethyl 2-[2-chloro-4-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171005078
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-[3-cyano-5-(difluoromethoxy)-2-sulfanylphenyl]acetic acid
CID 134640446
2-[5-(difluoromethoxy)-2-methyl-3-nitrophenyl]acetic acid
CID 171032371
2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
CID 119020580
2-[2-cyano-4-(difluoromethoxy)-6-ethylphenyl]acetic acid
CID 135742926
2-[2-cyano-5-(difluoromethoxy)-3-(trifluoromethyl)phenyl]acetic acid
CID 118996135
2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid
CID 83898337
2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid
CID 171005263

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid?
The IUPAC name of 2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid (CID 171003435) is 2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid is O=C(O)Cc1cc(OC(F)F)cc(F)c1Cl.
What is the InChIKey of 2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid?
The InChIKey is QZCWBINMCVLTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3O3/c10-8-4(2-7(14)15)1-5(3-6(8)11)16-9(12)13/h1,3,9H,2H2,(H,14,15).
What are the key properties of 2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid?
2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid has a molecular weight of 254.59 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(difluoromethoxy)-3-fluorophenyl]acetic acid is sourced from PubChem (CID 171003435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).