2-[N-(2-fluoroethyl)anilino]acetic acid

C10H12FNO2 — CID 80695763

IUPAC2-[N-(2-fluoroethyl)anilino]acetic acid
SMILESO=C(O)CN(CCF)c1ccccc1
InChIInChI=1S/C10H12FNO2/c11-6-7-12(8-10(13)14)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)
InChIKeyWONHLPOASIGVBF-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.55
Rot. Bonds5

About 2-[N-(2-fluoroethyl)anilino]acetic acid

2-[N-(2-fluoroethyl)anilino]acetic acid (PubChem CID 80695763) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-[N-(2-fluoroethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(2-fluoroethyl)anilino]acetic acid
PubChem CID80695763
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-[N-(2-fluoroethyl)anilino]acetic acid
SMILESO=C(O)CN(CCF)c1ccccc1
InChIInChI=1S/C10H12FNO2/c11-6-7-12(8-10(13)14)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)
InChIKeyWONHLPOASIGVBF-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566938
2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid
CID 80696045
2-[N-[2-(trifluoromethylsulfanyl)ethyl]anilino]acetic acid
CID 116616747
2-[N-(4-phenylbutyl)anilino]acetic acid
CID 114334085
2-[N-(2-sulfamoylethyl)anilino]acetic acid
CID 114385326
2-(N-(3-hydroxy-3-methylbutyl)anilino)acetic acid
CID 79354763
2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid
CID 61070339
2-[N-(4-methylpentyl)anilino]acetic acid
CID 83158703
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
2-[N-[2-(4-fluorophenyl)sulfanylethyl]anilino]acetic acid
CID 60839946
2-[N-(4-cyanobutyl)anilino]acetic acid
CID 54925845
2-(N-prop-2-ynylanilino)acetic acid
CID 60839094

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-fluoroethyl)anilino]acetic acid?
The IUPAC name of 2-[N-(2-fluoroethyl)anilino]acetic acid (CID 80695763) is 2-[N-(2-fluoroethyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(2-fluoroethyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(2-fluoroethyl)anilino]acetic acid is O=C(O)CN(CCF)c1ccccc1.
What is the InChIKey of 2-[N-(2-fluoroethyl)anilino]acetic acid?
The InChIKey is WONHLPOASIGVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-6-7-12(8-10(13)14)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14).
What are the key properties of 2-[N-(2-fluoroethyl)anilino]acetic acid?
2-[N-(2-fluoroethyl)anilino]acetic acid has a molecular weight of 197.21 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-fluoroethyl)anilino]acetic acid is sourced from PubChem (CID 80695763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).