2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid

C12H14F2O4 — CID 61327040

IUPAC2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid
SMILESCOc1ccc(C(F)(F)COCC(=O)O)cc1C
InChIInChI=1S/C12H14F2O4/c1-8-5-9(3-4-10(8)17-2)12(13,14)7-18-6-11(15)16/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyICUUVNYZDIWTTF-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.20
Rot. Bonds6

About 2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid

2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid (PubChem CID 61327040) has the molecular formula C12H14F2O4 and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid
PubChem CID61327040
Molecular FormulaC12H14F2O4
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid
SMILESCOc1ccc(C(F)(F)COCC(=O)O)cc1C
InChIInChI=1S/C12H14F2O4/c1-8-5-9(3-4-10(8)17-2)12(13,14)7-18-6-11(15)16/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyICUUVNYZDIWTTF-UHFFFAOYSA-N
XLogP2.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid
CID 61327232
2-(2,2-difluoro-2-phenylethoxy)acetic acid
CID 61328007
2-[2-(1,3-dihydro-2-benzofuran-5-yl)-2,2-difluoroethoxy]acetic acid
CID 63020597
3-(3-bromo-4-methoxyphenyl)-3,3-difluoropropanoic acid
CID 116838347
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
4-(4-ethoxy-3-methylphenyl)-4,4-difluorobutanoic acid
CID 116838445
2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 82098466
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456556
1-(4-methoxy-3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206599
2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925
3-amino-3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 117401252

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid?
The IUPAC name of 2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid (CID 61327040) is 2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid?
The canonical SMILES for 2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid is COc1ccc(C(F)(F)COCC(=O)O)cc1C.
What is the InChIKey of 2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid?
The InChIKey is ICUUVNYZDIWTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O4/c1-8-5-9(3-4-10(8)17-2)12(13,14)7-18-6-11(15)16/h3-5H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid?
2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid has a molecular weight of 260.24 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid is sourced from PubChem (CID 61327040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).