2,3-difluorophenol;5-methyloxolane-2-carboxylic acid

C12H14F2O4 — CID 166160013

IUPAC2,3-difluorophenol;5-methyloxolane-2-carboxylic acid
SMILESCC1CCC(C(=O)O)O1.Oc1cccc(F)c1F
InChIInChI=1S/C6H4F2O.C6H10O3/c7-4-2-1-3-5(9)6(4)8;1-4-2-3-5(9-4)6(7)8/h1-3,9H;4-5H,2-3H2,1H3,(H,7,8)
InChIKeyYXJLICNSNREGLW-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.31
Rot. Bonds1

About 2,3-difluorophenol;5-methyloxolane-2-carboxylic acid

2,3-difluorophenol;5-methyloxolane-2-carboxylic acid (PubChem CID 166160013) has the molecular formula C12H14F2O4 and a molecular weight of 260.24 g/mol. Its IUPAC name is 2,3-difluorophenol;5-methyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name2,3-difluorophenol;5-methyloxolane-2-carboxylic acid
PubChem CID166160013
Molecular FormulaC12H14F2O4
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name2,3-difluorophenol;5-methyloxolane-2-carboxylic acid
SMILESCC1CCC(C(=O)O)O1.Oc1cccc(F)c1F
InChIInChI=1S/C6H4F2O.C6H10O3/c7-4-2-1-3-5(9)6(4)8;1-4-2-3-5(9-4)6(7)8/h1-3,9H;4-5H,2-3H2,1H3,(H,7,8)
InChIKeyYXJLICNSNREGLW-UHFFFAOYSA-N
XLogP2.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-2-methoxybenzene;5-methyloxolane-2-carboxylic acid
CID 176996277
(2R)-5-methyloxolane-2-carboxylic acid
CID 58055098
1,2-difluoro-3-methoxybenzene;methyl 5-methyloxolane-2-carboxylate
CID 178082904
2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 102865639
1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159495
2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 81330350
5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62979551
2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol
CID 174546410
5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid
CID 62299212
N-(3-hydroxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330062
(3-ethylphenyl)-(5-methyloxolan-2-yl)methanone
CID 115788879
2-chloro-1-(5-methyloxolan-2-yl)-2-phenylethanone
CID 81329855

Frequently Asked Questions

What is the IUPAC name of 2,3-difluorophenol;5-methyloxolane-2-carboxylic acid?
The IUPAC name of 2,3-difluorophenol;5-methyloxolane-2-carboxylic acid (CID 166160013) is 2,3-difluorophenol;5-methyloxolane-2-carboxylic acid.
What is the SMILES notation for 2,3-difluorophenol;5-methyloxolane-2-carboxylic acid?
The canonical SMILES for 2,3-difluorophenol;5-methyloxolane-2-carboxylic acid is CC1CCC(C(=O)O)O1.Oc1cccc(F)c1F.
What is the InChIKey of 2,3-difluorophenol;5-methyloxolane-2-carboxylic acid?
The InChIKey is YXJLICNSNREGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O.C6H10O3/c7-4-2-1-3-5(9)6(4)8;1-4-2-3-5(9-4)6(7)8/h1-3,9H;4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 2,3-difluorophenol;5-methyloxolane-2-carboxylic acid?
2,3-difluorophenol;5-methyloxolane-2-carboxylic acid has a molecular weight of 260.24 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluorophenol;5-methyloxolane-2-carboxylic acid is sourced from PubChem (CID 166160013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).