2-(4-acetamidophenoxy)-2-fluoroacetic acid

C10H10FNO4 — CID 79357671

IUPAC2-(4-acetamidophenoxy)-2-fluoroacetic acid
SMILESCC(=O)Nc1ccc(OC(F)C(=O)O)cc1
InChIInChI=1S/C10H10FNO4/c1-6(13)12-7-2-4-8(5-3-7)16-9(11)10(14)15/h2-5,9H,1H3,(H,12,13)(H,14,15)
InChIKeyBQRNYQDHWQLBCA-UHFFFAOYSA-N
MW227.19 g/mol
LogP1.40
Rot. Bonds4

About 2-(4-acetamidophenoxy)-2-fluoroacetic acid

2-(4-acetamidophenoxy)-2-fluoroacetic acid (PubChem CID 79357671) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-2-fluoroacetic acid
PubChem CID79357671
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name2-(4-acetamidophenoxy)-2-fluoroacetic acid
SMILESCC(=O)Nc1ccc(OC(F)C(=O)O)cc1
InChIInChI=1S/C10H10FNO4/c1-6(13)12-7-2-4-8(5-3-7)16-9(11)10(14)15/h2-5,9H,1H3,(H,12,13)(H,14,15)
InChIKeyBQRNYQDHWQLBCA-UHFFFAOYSA-N
XLogP1.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
2-fluoro-2-(4-propanoylphenoxy)acetic acid
CID 79357393
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide
CID 91054155
N'-[4-(difluoromethoxy)phenyl]acetohydrazide
CID 174866017
(E)-4-[4-(difluoromethoxy)anilino]-4-oxobut-2-enoic acid
CID 702461
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
(3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502651

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-2-fluoroacetic acid?
The IUPAC name of 2-(4-acetamidophenoxy)-2-fluoroacetic acid (CID 79357671) is 2-(4-acetamidophenoxy)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-acetamidophenoxy)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-acetamidophenoxy)-2-fluoroacetic acid is CC(=O)Nc1ccc(OC(F)C(=O)O)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-2-fluoroacetic acid?
The InChIKey is BQRNYQDHWQLBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-6(13)12-7-2-4-8(5-3-7)16-9(11)10(14)15/h2-5,9H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(4-acetamidophenoxy)-2-fluoroacetic acid?
2-(4-acetamidophenoxy)-2-fluoroacetic acid has a molecular weight of 227.19 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-2-fluoroacetic acid is sourced from PubChem (CID 79357671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).