2-[2-(dimethylamino)-6-fluorophenyl]acetic acid

C10H12FNO2 — CID 19899901

IUPAC2-[2-(dimethylamino)-6-fluorophenyl]acetic acid
SMILESCN(C)c1cccc(F)c1CC(=O)O
InChIInChI=1S/C10H12FNO2/c1-12(2)9-5-3-4-8(11)7(9)6-10(13)14/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyRTRHVJFFSOCLFT-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.52
Rot. Bonds3

About 2-[2-(dimethylamino)-6-fluorophenyl]acetic acid

2-[2-(dimethylamino)-6-fluorophenyl]acetic acid (PubChem CID 19899901) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-6-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-6-fluorophenyl]acetic acid
PubChem CID19899901
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-[2-(dimethylamino)-6-fluorophenyl]acetic acid
SMILESCN(C)c1cccc(F)c1CC(=O)O
InChIInChI=1S/C10H12FNO2/c1-12(2)9-5-3-4-8(11)7(9)6-10(13)14/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyRTRHVJFFSOCLFT-UHFFFAOYSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894
2-[3-(dimethylamino)-2-methylphenyl]acetic acid
CID 155670062
2-[2-fluoro-6-(methylamino)phenyl]acetic acid
CID 82280939
2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid
CID 95454787
N-[(2,6-difluorophenyl)methyl]-N-methylacetamide
CID 166206862
O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine
CID 117279902
2-[2-(butan-2-ylamino)-6-fluorophenyl]acetic acid
CID 82287570
2-[2-fluoro-6-(propan-2-ylamino)phenyl]acetic acid
CID 82284132
2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline
CID 117297854
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one
CID 58465460
2-[2-(6-bromohexyl)-3-fluorophenyl]acetic acid
CID 23352576

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-6-fluorophenyl]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)-6-fluorophenyl]acetic acid (CID 19899901) is 2-[2-(dimethylamino)-6-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-6-fluorophenyl]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)-6-fluorophenyl]acetic acid is CN(C)c1cccc(F)c1CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)-6-fluorophenyl]acetic acid?
The InChIKey is RTRHVJFFSOCLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-12(2)9-5-3-4-8(11)7(9)6-10(13)14/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(dimethylamino)-6-fluorophenyl]acetic acid?
2-[2-(dimethylamino)-6-fluorophenyl]acetic acid has a molecular weight of 197.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-6-fluorophenyl]acetic acid is sourced from PubChem (CID 19899901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).