2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid

C9H9F2NO2 — CID 115022150

IUPAC2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid
SMILESO=C(O)CNc1ccc(CF)cc1F
InChIInChI=1S/C9H9F2NO2/c10-4-6-1-2-8(7(11)3-6)12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyLQALNEHEZWBGAY-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.79
Rot. Bonds4

About 2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid

2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid (PubChem CID 115022150) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid
PubChem CID115022150
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid
SMILESO=C(O)CNc1ccc(CF)cc1F
InChIInChI=1S/C9H9F2NO2/c10-4-6-1-2-8(7(11)3-6)12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyLQALNEHEZWBGAY-UHFFFAOYSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-fluoro-4-(fluoromethyl)anilino]propanoic acid
CID 115028968
2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid
CID 115021601
2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid
CID 86683687
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
2-(5-bromo-2-fluoroanilino)acetic acid
CID 43555633
2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid
CID 82296842
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
2-(carboxymethylamino)-4-fluorobenzoic acid
CID 19907325
3-fluoro-4-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710952
2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid
CID 115034955
4-(benzylamino)-3-fluorobenzoic acid
CID 62711973
methyl 2-(2-fluoro-4-methoxyanilino)acetate
CID 82539689

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid?
The IUPAC name of 2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid (CID 115022150) is 2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid is O=C(O)CNc1ccc(CF)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid?
The InChIKey is LQALNEHEZWBGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-4-6-1-2-8(7(11)3-6)12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14).
What are the key properties of 2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid?
2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid has a molecular weight of 201.17 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid is sourced from PubChem (CID 115022150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).