3-chloro-2-(2-fluoropropan-2-yl)benzoic acid

C10H10ClFO2 — CID 84682261

IUPAC3-chloro-2-(2-fluoropropan-2-yl)benzoic acid
SMILESCC(C)(F)c1c(Cl)cccc1C(=O)O
InChIInChI=1S/C10H10ClFO2/c1-10(2,12)8-6(9(13)14)4-3-5-7(8)11/h3-5H,1-2H3,(H,13,14)
InChIKeyXUYZWQILPYIYFJ-UHFFFAOYSA-N
MW216.64 g/mol
LogP3.24
Rot. Bonds2

About 3-chloro-2-(2-fluoropropan-2-yl)benzoic acid

3-chloro-2-(2-fluoropropan-2-yl)benzoic acid (PubChem CID 84682261) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 3-chloro-2-(2-fluoropropan-2-yl)benzoic acid.

Molecular Properties

Compound Name3-chloro-2-(2-fluoropropan-2-yl)benzoic acid
PubChem CID84682261
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name3-chloro-2-(2-fluoropropan-2-yl)benzoic acid
SMILESCC(C)(F)c1c(Cl)cccc1C(=O)O
InChIInChI=1S/C10H10ClFO2/c1-10(2,12)8-6(9(13)14)4-3-5-7(8)11/h3-5H,1-2H3,(H,13,14)
InChIKeyXUYZWQILPYIYFJ-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(1,1,2,2,3,3,3-heptafluoropropyl)benzene-1,3-dicarboxylic acid
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3-amino-2-[3-chloro-2-(2-fluoropropan-2-yl)phenyl]propanoic acid
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1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone
CID 84706282
3-chloro-2-(1-fluoroethyl)benzoic acid
CID 84671086
4-tert-butyl-2-(2-chlorobenzoyl)benzoic acid
CID 7730192
2,4-dichloro-3-(trifluoromethyl)benzoic acid
CID 11680461
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
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CID 174649164

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-fluoropropan-2-yl)benzoic acid?
The IUPAC name of 3-chloro-2-(2-fluoropropan-2-yl)benzoic acid (CID 84682261) is 3-chloro-2-(2-fluoropropan-2-yl)benzoic acid.
What is the SMILES notation for 3-chloro-2-(2-fluoropropan-2-yl)benzoic acid?
The canonical SMILES for 3-chloro-2-(2-fluoropropan-2-yl)benzoic acid is CC(C)(F)c1c(Cl)cccc1C(=O)O.
What is the InChIKey of 3-chloro-2-(2-fluoropropan-2-yl)benzoic acid?
The InChIKey is XUYZWQILPYIYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-10(2,12)8-6(9(13)14)4-3-5-7(8)11/h3-5H,1-2H3,(H,13,14).
What are the key properties of 3-chloro-2-(2-fluoropropan-2-yl)benzoic acid?
3-chloro-2-(2-fluoropropan-2-yl)benzoic acid has a molecular weight of 216.64 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-fluoropropan-2-yl)benzoic acid is sourced from PubChem (CID 84682261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).