2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid

C15H10ClF2NO3 — CID 135175541

IUPAC2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid
SMILESNC(C(=O)O)C(F)(F)c1ccc2c(c1)oc1cc(Cl)ccc12
InChIInChI=1S/C15H10ClF2NO3/c16-8-2-4-10-9-3-1-7(5-11(9)22-12(10)6-8)15(17,18)13(19)14(20)21/h1-6,13H,19H2,(H,20,21)
InChIKeyQJXWQRYJALUZQY-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.74
Rot. Bonds3

About 2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid

2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid (PubChem CID 135175541) has the molecular formula C15H10ClF2NO3 and a molecular weight of 325.70 g/mol. Its IUPAC name is 2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid.

Molecular Properties

Compound Name2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid
PubChem CID135175541
Molecular FormulaC15H10ClF2NO3
Molecular Weight325.70 g/mol
Exact Mass325.03
IUPAC Name2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid
SMILESNC(C(=O)O)C(F)(F)c1ccc2c(c1)oc1cc(Cl)ccc12
InChIInChI=1S/C15H10ClF2NO3/c16-8-2-4-10-9-3-1-7(5-11(9)22-12(10)6-8)15(17,18)13(19)14(20)21/h1-6,13H,19H2,(H,20,21)
InChIKeyQJXWQRYJALUZQY-UHFFFAOYSA-N
XLogP3.74
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid?
The IUPAC name of 2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid (CID 135175541) is 2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid.
What is the SMILES notation for 2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid?
The canonical SMILES for 2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid is NC(C(=O)O)C(F)(F)c1ccc2c(c1)oc1cc(Cl)ccc12.
What is the InChIKey of 2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid?
The InChIKey is QJXWQRYJALUZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO3/c16-8-2-4-10-9-3-1-7(5-11(9)22-12(10)6-8)15(17,18)13(19)14(20)21/h1-6,13H,19H2,(H,20,21).
What are the key properties of 2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid?
2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid has a molecular weight of 325.70 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid is sourced from PubChem (CID 135175541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).