2-ethoxy-2-(3-fluorophenyl)acetic acid

C10H11FO3 — CID 68560749

IUPAC2-ethoxy-2-(3-fluorophenyl)acetic acid
SMILESCCOC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C10H11FO3/c1-2-14-9(10(12)13)7-4-3-5-8(11)6-7/h3-6,9H,2H2,1H3,(H,12,13)
InChIKeyYUGILCHPYZGCML-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.99
Rot. Bonds4

About 2-ethoxy-2-(3-fluorophenyl)acetic acid

2-ethoxy-2-(3-fluorophenyl)acetic acid (PubChem CID 68560749) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-ethoxy-2-(3-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-ethoxy-2-(3-fluorophenyl)acetic acid
PubChem CID68560749
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-ethoxy-2-(3-fluorophenyl)acetic acid
SMILESCCOC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C10H11FO3/c1-2-14-9(10(12)13)7-4-3-5-8(11)6-7/h3-6,9H,2H2,1H3,(H,12,13)
InChIKeyYUGILCHPYZGCML-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-propoxyacetic acid
CID 83224812
2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
CID 116751792
2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid
CID 83224808
1-(3-fluorophenyl)-1-propoxypropan-2-one
CID 83226536
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone
CID 116751709
2-ethoxy-2-(4-fluorophenyl)acetic acid;4-fluorobenzaldehyde
CID 159275151
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415
2-ethoxy-2-(4-hydroxyphenyl)acetic acid
CID 70349017
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid
CID 129161460
ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865537
2-(3-ethoxyphenyl)-2-propoxyacetic acid
CID 83224813

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(3-fluorophenyl)acetic acid?
The IUPAC name of 2-ethoxy-2-(3-fluorophenyl)acetic acid (CID 68560749) is 2-ethoxy-2-(3-fluorophenyl)acetic acid.
What is the SMILES notation for 2-ethoxy-2-(3-fluorophenyl)acetic acid?
The canonical SMILES for 2-ethoxy-2-(3-fluorophenyl)acetic acid is CCOC(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-ethoxy-2-(3-fluorophenyl)acetic acid?
The InChIKey is YUGILCHPYZGCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-2-14-9(10(12)13)7-4-3-5-8(11)6-7/h3-6,9H,2H2,1H3,(H,12,13).
What are the key properties of 2-ethoxy-2-(3-fluorophenyl)acetic acid?
2-ethoxy-2-(3-fluorophenyl)acetic acid has a molecular weight of 198.19 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(3-fluorophenyl)acetic acid is sourced from PubChem (CID 68560749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).