2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid

C11H12F2O3 — CID 117332015

IUPAC2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid
SMILESCC(C)(F)c1c(F)cccc1C(O)C(=O)O
InChIInChI=1S/C11H12F2O3/c1-11(2,13)8-6(9(14)10(15)16)4-3-5-7(8)12/h3-5,9,14H,1-2H3,(H,15,16)
InChIKeyMGRCSMDRFPYXPH-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.15
Rot. Bonds3

About 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid

2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid (PubChem CID 117332015) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid
PubChem CID117332015
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid
SMILESCC(C)(F)c1c(F)cccc1C(O)C(=O)O
InChIInChI=1S/C11H12F2O3/c1-11(2,13)8-6(9(14)10(15)16)4-3-5-7(8)12/h3-5,9,14H,1-2H3,(H,15,16)
InChIKeyMGRCSMDRFPYXPH-UHFFFAOYSA-N
XLogP2.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117108572
2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131307202
2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid
CID 117339801
(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 57032402
3-(2,6-difluorophenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62397035
2-[2,3-bis(methylsulfanyl)phenyl]-2-hydroxyacetic acid
CID 117362892
2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid
CID 170998296
3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid
CID 63667269
2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119019485
3-amino-2-[3-chloro-2-(2-fluoropropan-2-yl)phenyl]propanoic acid
CID 117403448
2-(3-fluoro-2-pyridin-3-ylphenyl)-2-hydroxyacetic acid
CID 46315689
2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134624036

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid (CID 117332015) is 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid is CC(C)(F)c1c(F)cccc1C(O)C(=O)O.
What is the InChIKey of 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid?
The InChIKey is MGRCSMDRFPYXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-11(2,13)8-6(9(14)10(15)16)4-3-5-7(8)12/h3-5,9,14H,1-2H3,(H,15,16).
What are the key properties of 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid?
2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid has a molecular weight of 230.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117332015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).