2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid

C14H10F3NO2 — CID 60992205

IUPAC2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H10F3NO2/c15-8-1-4-10(5-2-8)18-13(14(19)20)11-6-3-9(16)7-12(11)17/h1-7,13,18H,(H,19,20)
InChIKeyNOYVXHJZDXCMAN-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.34
Rot. Bonds4

About 2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid

2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid (PubChem CID 60992205) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
PubChem CID60992205
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H10F3NO2/c15-8-1-4-10(5-2-8)18-13(14(19)20)11-6-3-9(16)7-12(11)17/h1-7,13,18H,(H,19,20)
InChIKeyNOYVXHJZDXCMAN-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
CID 60993908
2-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513
2-anilino-2-(2,4-difluorophenyl)acetamide
CID 54889357
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84746744
2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54890074
methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate
CID 60993846
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-(3-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54890173
2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid
CID 114075665
2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992095

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid (CID 60992205) is 2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid is O=C(O)C(Nc1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid?
The InChIKey is NOYVXHJZDXCMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-8-1-4-10(5-2-8)18-13(14(19)20)11-6-3-9(16)7-12(11)17/h1-7,13,18H,(H,19,20).
What are the key properties of 2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid?
2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid has a molecular weight of 281.23 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid is sourced from PubChem (CID 60992205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).