2-[2-fluoro-6-(methylamino)phenyl]acetic acid

C9H10FNO2 — CID 82280939

IUPAC2-[2-fluoro-6-(methylamino)phenyl]acetic acid
SMILESCNc1cccc(F)c1CC(=O)O
InChIInChI=1S/C9H10FNO2/c1-11-8-4-2-3-7(10)6(8)5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyMJIGVKDJYVXLGW-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.49
Rot. Bonds3

About 2-[2-fluoro-6-(methylamino)phenyl]acetic acid

2-[2-fluoro-6-(methylamino)phenyl]acetic acid (PubChem CID 82280939) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-[2-fluoro-6-(methylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-6-(methylamino)phenyl]acetic acid
PubChem CID82280939
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name2-[2-fluoro-6-(methylamino)phenyl]acetic acid
SMILESCNc1cccc(F)c1CC(=O)O
InChIInChI=1S/C9H10FNO2/c1-11-8-4-2-3-7(10)6(8)5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyMJIGVKDJYVXLGW-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-6-(propan-2-ylamino)phenyl]acetic acid
CID 82284132
2-[2-(butan-2-ylamino)-6-fluorophenyl]acetic acid
CID 82287570
2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid
CID 95454787
2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894
bis[2-[2-fluoro-6-(methylamino)phenyl]ethyl] propanedioate
CID 67798818
2-[2-(dimethylamino)-6-fluorophenyl]acetic acid
CID 19899901
2,3-difluoro-N-methylaniline
CID 50998712
N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline
CID 144659656
2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide
CID 166293058
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 69472911
1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(methylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-6-(methylamino)phenyl]acetic acid (CID 82280939) is 2-[2-fluoro-6-(methylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-6-(methylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-6-(methylamino)phenyl]acetic acid is CNc1cccc(F)c1CC(=O)O.
What is the InChIKey of 2-[2-fluoro-6-(methylamino)phenyl]acetic acid?
The InChIKey is MJIGVKDJYVXLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-11-8-4-2-3-7(10)6(8)5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13).
What are the key properties of 2-[2-fluoro-6-(methylamino)phenyl]acetic acid?
2-[2-fluoro-6-(methylamino)phenyl]acetic acid has a molecular weight of 183.18 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(methylamino)phenyl]acetic acid is sourced from PubChem (CID 82280939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).