5-(2-fluoropropan-2-yl)-2-methylbenzoic acid

C11H13FO2 — CID 84666856

IUPAC5-(2-fluoropropan-2-yl)-2-methylbenzoic acid
SMILESCc1ccc(C(C)(C)F)cc1C(=O)O
InChIInChI=1S/C11H13FO2/c1-7-4-5-8(11(2,3)12)6-9(7)10(13)14/h4-6H,1-3H3,(H,13,14)
InChIKeyUAOZBUADFWQGDF-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.90
Rot. Bonds2

About 5-(2-fluoropropan-2-yl)-2-methylbenzoic acid

5-(2-fluoropropan-2-yl)-2-methylbenzoic acid (PubChem CID 84666856) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-2-methylbenzoic acid.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-2-methylbenzoic acid
PubChem CID84666856
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name5-(2-fluoropropan-2-yl)-2-methylbenzoic acid
SMILESCc1ccc(C(C)(C)F)cc1C(=O)O
InChIInChI=1S/C11H13FO2/c1-7-4-5-8(11(2,3)12)6-9(7)10(13)14/h4-6H,1-3H3,(H,13,14)
InChIKeyUAOZBUADFWQGDF-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1-carboxy-2-methylpropan-2-yl)-2-methylbenzoic acid
CID 117344631
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone
CID 84688474
2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 102755397
2-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propanoic acid
CID 117322097
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
4-[2-(4-carboxy-3-methylphenyl)propan-2-yl]-2-methylbenzoic acid
CID 67542151
2-methylsulfonyl-5-(trifluoromethyl)benzoic acid
CID 26598188
cyclohexane;4-methylbenzene-1,3-dicarboxylic acid
CID 174566305
2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid
CID 115034955
(2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid
CID 175788644
3-carboxy-4-methylphenolate
CID 54720119
4-[2-(3,4-dicarboxyphenyl)-1,1,2,2-tetrafluoroethyl]phthalic acid
CID 118000585

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-2-methylbenzoic acid?
The IUPAC name of 5-(2-fluoropropan-2-yl)-2-methylbenzoic acid (CID 84666856) is 5-(2-fluoropropan-2-yl)-2-methylbenzoic acid.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-2-methylbenzoic acid?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-2-methylbenzoic acid is Cc1ccc(C(C)(C)F)cc1C(=O)O.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-2-methylbenzoic acid?
The InChIKey is UAOZBUADFWQGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-7-4-5-8(11(2,3)12)6-9(7)10(13)14/h4-6H,1-3H3,(H,13,14).
What are the key properties of 5-(2-fluoropropan-2-yl)-2-methylbenzoic acid?
5-(2-fluoropropan-2-yl)-2-methylbenzoic acid has a molecular weight of 196.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-2-methylbenzoic acid is sourced from PubChem (CID 84666856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).