2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid

C15H12F2O3 — CID 22575053

IUPAC2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
SMILESCOc1ccc(-c2ccc(C(F)(F)C(=O)O)cc2)cc1
InChIInChI=1S/C15H12F2O3/c1-20-13-8-4-11(5-9-13)10-2-6-12(7-3-10)15(16,17)14(18)19/h2-9H,1H3,(H,18,19)
InChIKeyLFCVRQQUUBQEKG-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.54
Rot. Bonds4

About 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid

2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid (PubChem CID 22575053) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
PubChem CID22575053
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
SMILESCOc1ccc(-c2ccc(C(F)(F)C(=O)O)cc2)cc1
InChIInChI=1S/C15H12F2O3/c1-20-13-8-4-11(5-9-13)10-2-6-12(7-3-10)15(16,17)14(18)19/h2-9H,1H3,(H,18,19)
InChIKeyLFCVRQQUUBQEKG-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate
CID 46220012
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
2,2-difluoro-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 118647089
2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid
CID 178069043
anisole;2,2,2-trifluoroacetic acid
CID 66633105
2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid
CID 114520026
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
1,1-difluoro-1-(4-phenylphenyl)propan-2-one
CID 71022279
2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 39232920
1-tert-butyl-4-(4-tert-butylphenoxy)benzene;1-tert-butyl-4-(4-tert-butylphenyl)benzene;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenoxy]benzene;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]benzene;1-methoxy-4-(4-methoxyphenyl)benzene
CID 158471976
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
2-amino-3,3-difluoro-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 44717264

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid (CID 22575053) is 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid is COc1ccc(-c2ccc(C(F)(F)C(=O)O)cc2)cc1.
What is the InChIKey of 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid?
The InChIKey is LFCVRQQUUBQEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-20-13-8-4-11(5-9-13)10-2-6-12(7-3-10)15(16,17)14(18)19/h2-9H,1H3,(H,18,19).
What are the key properties of 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid?
2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid has a molecular weight of 278.25 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid is sourced from PubChem (CID 22575053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).