2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid

C12H14F2O3 — CID 61328203

IUPAC2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid
SMILESCCc1ccc(C(F)(F)COCC(=O)O)cc1
InChIInChI=1S/C12H14F2O3/c1-2-9-3-5-10(6-4-9)12(13,14)8-17-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyOYAMSYWJWDXPBE-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.44
Rot. Bonds6

About 2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid

2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid (PubChem CID 61328203) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid
PubChem CID61328203
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid
SMILESCCc1ccc(C(F)(F)COCC(=O)O)cc1
InChIInChI=1S/C12H14F2O3/c1-2-9-3-5-10(6-4-9)12(13,14)8-17-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyOYAMSYWJWDXPBE-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoro-2-phenylethoxy)acetic acid
CID 61328007
2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid
CID 61327040
2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid
CID 61327232
2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
CID 69381817
2-(4-ethylphenyl)-2,2-difluoroethanol
CID 105425911
2-[2-(1,3-dihydro-2-benzofuran-5-yl)-2,2-difluoroethoxy]acetic acid
CID 63020597
1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 43800999
3,3-difluoro-3-(4-propylphenyl)propanoic acid
CID 116838337
2-[4-(1,1-difluorobutyl)phenyl]acetic acid
CID 116992158
ethyl (2R)-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 159573872
3-(4-ethylphenyl)-2,2-difluoropropanoic acid
CID 116838202
2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid?
The IUPAC name of 2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid (CID 61328203) is 2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid is CCc1ccc(C(F)(F)COCC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid?
The InChIKey is OYAMSYWJWDXPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-2-9-3-5-10(6-4-9)12(13,14)8-17-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid?
2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid has a molecular weight of 244.24 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid is sourced from PubChem (CID 61328203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).