2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid

C11H11ClF3NO2 — CID 20792224

IUPAC2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid
SMILESCC(F)(F)CNc1ccc(Cl)c(CC(=O)O)c1F
InChIInChI=1S/C11H11ClF3NO2/c1-11(14,15)5-16-8-3-2-7(12)6(10(8)13)4-9(17)18/h2-3,16H,4-5H2,1H3,(H,17,18)
InChIKeyRFVYUZREXGDBBW-UHFFFAOYSA-N
MW281.66 g/mol
LogP3.17
Rot. Bonds5

About 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid

2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid (PubChem CID 20792224) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid
PubChem CID20792224
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid
SMILESCC(F)(F)CNc1ccc(Cl)c(CC(=O)O)c1F
InChIInChI=1S/C11H11ClF3NO2/c1-11(14,15)5-16-8-3-2-7(12)6(10(8)13)4-9(17)18/h2-3,16H,4-5H2,1H3,(H,17,18)
InChIKeyRFVYUZREXGDBBW-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid (CID 20792224) is 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid is CC(F)(F)CNc1ccc(Cl)c(CC(=O)O)c1F.
What is the InChIKey of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid?
The InChIKey is RFVYUZREXGDBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-11(14,15)5-16-8-3-2-7(12)6(10(8)13)4-9(17)18/h2-3,16H,4-5H2,1H3,(H,17,18).
What are the key properties of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid?
2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid has a molecular weight of 281.66 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid is sourced from PubChem (CID 20792224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).