2-(5-ethyl-2,4-difluorophenyl)acetic acid

C10H10F2O2 — CID 117289054

IUPAC2-(5-ethyl-2,4-difluorophenyl)acetic acid
SMILESCCc1cc(CC(=O)O)c(F)cc1F
InChIInChI=1S/C10H10F2O2/c1-2-6-3-7(4-10(13)14)9(12)5-8(6)11/h3,5H,2,4H2,1H3,(H,13,14)
InChIKeyQKUOXWBSGBEEJJ-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.15
Rot. Bonds3

About 2-(5-ethyl-2,4-difluorophenyl)acetic acid

2-(5-ethyl-2,4-difluorophenyl)acetic acid (PubChem CID 117289054) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 2-(5-ethyl-2,4-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-2,4-difluorophenyl)acetic acid
PubChem CID117289054
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name2-(5-ethyl-2,4-difluorophenyl)acetic acid
SMILESCCc1cc(CC(=O)O)c(F)cc1F
InChIInChI=1S/C10H10F2O2/c1-2-6-3-7(4-10(13)14)9(12)5-8(6)11/h3,5H,2,4H2,1H3,(H,13,14)
InChIKeyQKUOXWBSGBEEJJ-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(bromomethyl)-5-ethyl-2,4-difluorobenzene
CID 148681980
2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
CID 91755180
1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117324946
2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid
CID 10444484
2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117328325
2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid
CID 117305515
(5-ethyl-4-fluoro-2-methylphenyl)methanol
CID 117276635
2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66523493
2-(4-acetyloxy-2,5-difluorophenyl)acetic acid
CID 166114241
3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid
CID 117388767
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid
CID 117301399

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,4-difluorophenyl)acetic acid?
The IUPAC name of 2-(5-ethyl-2,4-difluorophenyl)acetic acid (CID 117289054) is 2-(5-ethyl-2,4-difluorophenyl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-2,4-difluorophenyl)acetic acid?
The canonical SMILES for 2-(5-ethyl-2,4-difluorophenyl)acetic acid is CCc1cc(CC(=O)O)c(F)cc1F.
What is the InChIKey of 2-(5-ethyl-2,4-difluorophenyl)acetic acid?
The InChIKey is QKUOXWBSGBEEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-2-6-3-7(4-10(13)14)9(12)5-8(6)11/h3,5H,2,4H2,1H3,(H,13,14).
What are the key properties of 2-(5-ethyl-2,4-difluorophenyl)acetic acid?
2-(5-ethyl-2,4-difluorophenyl)acetic acid has a molecular weight of 200.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,4-difluorophenyl)acetic acid is sourced from PubChem (CID 117289054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).