2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid

C12H16FNO2 — CID 115034955

IUPAC2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid
SMILESCc1cc(C(C)(C)F)ccc1NCC(=O)O
InChIInChI=1S/C12H16FNO2/c1-8-6-9(12(2,3)13)4-5-10(8)14-7-11(15)16/h4-6,14H,7H2,1-3H3,(H,15,16)
InChIKeyOZRJJTMRSSSUSH-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.70
Rot. Bonds4

About 2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid

2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid (PubChem CID 115034955) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid
PubChem CID115034955
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid
SMILESCc1cc(C(C)(C)F)ccc1NCC(=O)O
InChIInChI=1S/C12H16FNO2/c1-8-6-9(12(2,3)13)4-5-10(8)14-7-11(15)16/h4-6,14H,7H2,1-3H3,(H,15,16)
InChIKeyOZRJJTMRSSSUSH-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluoropropan-2-yl)-2-methylbenzoic acid
CID 84666856
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone
CID 84688474
2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid
CID 23341867
3-methyl-4-(3,3,3-trifluoropropylamino)benzoic acid
CID 63227444
2-[4-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-2,6-dimethylanilino]acetic acid
CID 15572237
2-(4-methoxy-2,5-dimethylanilino)acetic acid
CID 82492559
2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 56504019
2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid
CID 82501431
2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332
2-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propanoic acid
CID 117322097
2-[2-(trifluoromethyl)anilino]acetic acid
CID 21238931
2-[[2-(2-methyl-4-nitroanilino)acetyl]amino]acetic acid
CID 43465699

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid?
The IUPAC name of 2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid (CID 115034955) is 2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid.
What is the SMILES notation for 2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid?
The canonical SMILES for 2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid is Cc1cc(C(C)(C)F)ccc1NCC(=O)O.
What is the InChIKey of 2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid?
The InChIKey is OZRJJTMRSSSUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-6-9(12(2,3)13)4-5-10(8)14-7-11(15)16/h4-6,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid?
2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid has a molecular weight of 225.26 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid is sourced from PubChem (CID 115034955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).