2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid

C13H15F2NO3 — CID 79837144

IUPAC2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC2CCCCC2O)c(F)c1F
InChIInChI=1S/C13H15F2NO3/c14-11-7(13(18)19)5-6-9(12(11)15)16-8-3-1-2-4-10(8)17/h5-6,8,10,16-17H,1-4H2,(H,18,19)
InChIKeyGGWIQMDHXTZJCZ-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.38
Rot. Bonds3

About 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid

2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid (PubChem CID 79837144) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid.

Molecular Properties

Compound Name2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid
PubChem CID79837144
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC2CCCCC2O)c(F)c1F
InChIInChI=1S/C13H15F2NO3/c14-11-7(13(18)19)5-6-9(12(11)15)16-8-3-1-2-4-10(8)17/h5-6,8,10,16-17H,1-4H2,(H,18,19)
InChIKeyGGWIQMDHXTZJCZ-UHFFFAOYSA-N
XLogP2.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid?
The IUPAC name of 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid (CID 79837144) is 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid.
What is the SMILES notation for 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid?
The canonical SMILES for 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid is O=C(O)c1ccc(NC2CCCCC2O)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid?
The InChIKey is GGWIQMDHXTZJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c14-11-7(13(18)19)5-6-9(12(11)15)16-8-3-1-2-4-10(8)17/h5-6,8,10,16-17H,1-4H2,(H,18,19).
What are the key properties of 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid?
2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid has a molecular weight of 271.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid is sourced from PubChem (CID 79837144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).