2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid

C11H10F2O3 — CID 117328274

IUPAC2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid
SMILESO=C(O)c1cc(F)c(CC2(O)CC2)cc1F
InChIInChI=1S/C11H10F2O3/c12-8-4-7(10(14)15)9(13)3-6(8)5-11(16)1-2-11/h3-4,16H,1-2,5H2,(H,14,15)
InChIKeySVTRPKOUTVJCIM-UHFFFAOYSA-N
MW228.19 g/mol
LogP1.73
Rot. Bonds3

About 2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid

2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid (PubChem CID 117328274) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is 2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid.

Molecular Properties

Compound Name2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid
PubChem CID117328274
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid
SMILESO=C(O)c1cc(F)c(CC2(O)CC2)cc1F
InChIInChI=1S/C11H10F2O3/c12-8-4-7(10(14)15)9(13)3-6(8)5-11(16)1-2-11/h3-4,16H,1-2,5H2,(H,14,15)
InChIKeySVTRPKOUTVJCIM-UHFFFAOYSA-N
XLogP1.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid
CID 117321380
1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117332594
1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409978
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
4-(3-carboxypropyl)-2,5-difluorobenzoic acid
CID 117361861
5-(bromomethyl)-2,4-difluorobenzoic acid
CID 66524399
5-(chloromethyl)-2,4-difluorobenzoic acid
CID 112693918
1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
CID 117117572
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339846
5-bromo-4-ethyl-2-fluorobenzoic acid
CID 58909932
4-(bromomethyl)-5-cyclopropyl-2-fluorobenzoic acid
CID 118353727
1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol
CID 117332255

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid?
The IUPAC name of 2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid (CID 117328274) is 2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid.
What is the SMILES notation for 2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid?
The canonical SMILES for 2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid is O=C(O)c1cc(F)c(CC2(O)CC2)cc1F.
What is the InChIKey of 2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid?
The InChIKey is SVTRPKOUTVJCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-8-4-7(10(14)15)9(13)3-6(8)5-11(16)1-2-11/h3-4,16H,1-2,5H2,(H,14,15).
What are the key properties of 2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid?
2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid has a molecular weight of 228.19 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid is sourced from PubChem (CID 117328274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).