2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid

C14H11F2NO3 — CID 107690254

IUPAC2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid
SMILESO=C(O)C(Nc1ccccc1F)c1ccc(O)c(F)c1
InChIInChI=1S/C14H11F2NO3/c15-9-3-1-2-4-11(9)17-13(14(19)20)8-5-6-12(18)10(16)7-8/h1-7,13,17-18H,(H,19,20)
InChIKeyCVLAMVJJCWQPNV-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid

2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid (PubChem CID 107690254) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid
PubChem CID107690254
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid
SMILESO=C(O)C(Nc1ccccc1F)c1ccc(O)c(F)c1
InChIInChI=1S/C14H11F2NO3/c15-9-3-1-2-4-11(9)17-13(14(19)20)8-5-6-12(18)10(16)7-8/h1-7,13,17-18H,(H,19,20)
InChIKeyCVLAMVJJCWQPNV-UHFFFAOYSA-N
XLogP2.91
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690184
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid
CID 115527074
2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
CID 54890559
2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62132447
2-(2,5-difluoroanilino)-2-phenylacetic acid
CID 58556979
2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
CID 103237920
2-phenyl-2-(2,4,5-trifluoroanilino)acetic acid
CID 103249563
2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid
CID 61347771
2-(2-fluoroanilino)-2-(4-fluoro-3-methylphenyl)acetamide
CID 62122201
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
2-anilino-2-(3,4,5-trifluorophenyl)acetic acid
CID 63076629

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid (CID 107690254) is 2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid is O=C(O)C(Nc1ccccc1F)c1ccc(O)c(F)c1.
What is the InChIKey of 2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid?
The InChIKey is CVLAMVJJCWQPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c15-9-3-1-2-4-11(9)17-13(14(19)20)8-5-6-12(18)10(16)7-8/h1-7,13,17-18H,(H,19,20).
What are the key properties of 2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid?
2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid has a molecular weight of 279.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 107690254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).