5-(ethylamino)-2,4-difluorobenzoic acid

C9H9F2NO2 — CID 43737186

IUPAC5-(ethylamino)-2,4-difluorobenzoic acid
SMILESCCNc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C9H9F2NO2/c1-2-12-8-3-5(9(13)14)6(10)4-7(8)11/h3-4,12H,2H2,1H3,(H,13,14)
InChIKeyKCZAMXXZJLURFY-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.09
Rot. Bonds3

About 5-(ethylamino)-2,4-difluorobenzoic acid

5-(ethylamino)-2,4-difluorobenzoic acid (PubChem CID 43737186) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 5-(ethylamino)-2,4-difluorobenzoic acid.

Molecular Properties

Compound Name5-(ethylamino)-2,4-difluorobenzoic acid
PubChem CID43737186
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name5-(ethylamino)-2,4-difluorobenzoic acid
SMILESCCNc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C9H9F2NO2/c1-2-12-8-3-5(9(13)14)6(10)4-7(8)11/h3-4,12H,2H2,1H3,(H,13,14)
InChIKeyKCZAMXXZJLURFY-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-5-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoic acid
CID 81410924
5-(cyclopropylmethylamino)-2,4-difluorobenzoic acid
CID 43737180
5-[(3,5-difluorophenyl)methylamino]-2,4-difluorobenzoic acid
CID 106528385
5-[(5-ethylthiophen-2-yl)methylamino]-2,4-difluorobenzoic acid
CID 62346258
5-[(1-ethylpyrrol-3-yl)methylamino]-2,4-difluorobenzoic acid
CID 66415345
2,4-difluoro-5-[(3-fluoro-4-methylphenyl)methylamino]benzoic acid
CID 63646043
4-(ethylamino)-3-fluorobenzoic acid
CID 62711804
2,4-difluoro-5-[(3-methylphenyl)methylamino]benzoic acid
CID 43737084
5-[(3-ethylimidazol-4-yl)methylamino]-2,4-difluorobenzoic acid
CID 66132571
2,4-difluoro-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]benzoic acid
CID 103821830
5-[(2-bromoacetyl)amino]-2,4-difluorobenzoic acid
CID 63679678
5-[(4-bromo-3-methylphenyl)methylamino]-2,4-difluorobenzoic acid
CID 66473007

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2,4-difluorobenzoic acid?
The IUPAC name of 5-(ethylamino)-2,4-difluorobenzoic acid (CID 43737186) is 5-(ethylamino)-2,4-difluorobenzoic acid.
What is the SMILES notation for 5-(ethylamino)-2,4-difluorobenzoic acid?
The canonical SMILES for 5-(ethylamino)-2,4-difluorobenzoic acid is CCNc1cc(C(=O)O)c(F)cc1F.
What is the InChIKey of 5-(ethylamino)-2,4-difluorobenzoic acid?
The InChIKey is KCZAMXXZJLURFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-2-12-8-3-5(9(13)14)6(10)4-7(8)11/h3-4,12H,2H2,1H3,(H,13,14).
What are the key properties of 5-(ethylamino)-2,4-difluorobenzoic acid?
5-(ethylamino)-2,4-difluorobenzoic acid has a molecular weight of 201.17 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2,4-difluorobenzoic acid is sourced from PubChem (CID 43737186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).