2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid

C11H12F2O3 — CID 84693330

IUPAC2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
SMILESCOc1cccc(CC(=O)O)c1C(C)(F)F
InChIInChI=1S/C11H12F2O3/c1-11(12,13)10-7(6-9(14)15)4-3-5-8(10)16-2/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyYWFSWMMMDDWDCF-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.43
Rot. Bonds4

About 2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid

2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid (PubChem CID 84693330) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
PubChem CID84693330
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
SMILESCOc1cccc(CC(=O)O)c1C(C)(F)F
InChIInChI=1S/C11H12F2O3/c1-11(12,13)10-7(6-9(14)15)4-3-5-8(10)16-2/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyYWFSWMMMDDWDCF-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine
CID 117308978
2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170997113
2-(1,1-difluoroethyl)-3-methoxyphenol
CID 84661311
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-N-methylethanamine
CID 117330502
2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
CID 84692542
3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid
CID 69228512
3-(2-fluoro-3,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 117393930
2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid
CID 11064066
2-(3-tert-butyl-2-methoxyphenyl)acetic acid
CID 21199434
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid?
The IUPAC name of 2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid (CID 84693330) is 2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid is COc1cccc(CC(=O)O)c1C(C)(F)F.
What is the InChIKey of 2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid?
The InChIKey is YWFSWMMMDDWDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-11(12,13)10-7(6-9(14)15)4-3-5-8(10)16-2/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid?
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid has a molecular weight of 230.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid is sourced from PubChem (CID 84693330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).