2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid

C11H10F2O4 — CID 117361874

IUPAC2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2c(F)c(O)cc(O)c2F)CC1
InChIInChI=1S/C11H10F2O4/c12-9-5(14)3-6(15)10(13)8(9)11(1-2-11)4-7(16)17/h3,14-15H,1-2,4H2,(H,16,17)
InChIKeyPTMABLBVAXNTOW-UHFFFAOYSA-N
MW244.19 g/mol
LogP1.88
Rot. Bonds3

About 2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid

2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid (PubChem CID 117361874) has the molecular formula C11H10F2O4 and a molecular weight of 244.19 g/mol. Its IUPAC name is 2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid
PubChem CID117361874
Molecular FormulaC11H10F2O4
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2c(F)c(O)cc(O)c2F)CC1
InChIInChI=1S/C11H10F2O4/c12-9-5(14)3-6(15)10(13)8(9)11(1-2-11)4-7(16)17/h3,14-15H,1-2,4H2,(H,16,17)
InChIKeyPTMABLBVAXNTOW-UHFFFAOYSA-N
XLogP1.88
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid
CID 84790843
2-[1-(2,3,4,5,6-pentafluorophenyl)cyclopropyl]acetic acid
CID 117419143
2-[1-(2,3,6-trifluorophenyl)cyclopropyl]acetic acid
CID 117331938
2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid
CID 84814924
2-[1-(5-ethyl-2,4-dihydroxyphenyl)cyclopropyl]acetic acid
CID 84798070
2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid
CID 117400294
2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid
CID 117475183
1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117361873
2-[1-(2,6-difluoro-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117399171
2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117428689
2-[1-(3-fluoro-4-hydroxy-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800393
2-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117468852

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid (CID 117361874) is 2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid is O=C(O)CC1(c2c(F)c(O)cc(O)c2F)CC1.
What is the InChIKey of 2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid?
The InChIKey is PTMABLBVAXNTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O4/c12-9-5(14)3-6(15)10(13)8(9)11(1-2-11)4-7(16)17/h3,14-15H,1-2,4H2,(H,16,17).
What are the key properties of 2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid?
2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid has a molecular weight of 244.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117361874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).