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

C11H13ClF3NO2 — CID 158984402

IUPAC2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen
SMILESCC(F)(F)CNc1ccc(Cl)c(CC(=O)O)c1F.[H][H]
InChIInChI=1S/C11H11ClF3NO2.H2/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);1H
InChIKeyJPJXNZLSUQPIOC-UHFFFAOYSA-N
MW283.68 g/mol
LogP3.42
Rot. Bonds5

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

2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen (PubChem CID 158984402) has the molecular formula C11H13ClF3NO2 and a molecular weight of 283.68 g/mol. Its IUPAC name is 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen.

Molecular Properties

Compound Name2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen
PubChem CID158984402
Molecular FormulaC11H13ClF3NO2
Molecular Weight283.68 g/mol
Exact Mass283.06
IUPAC Name2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen
SMILESCC(F)(F)CNc1ccc(Cl)c(CC(=O)O)c1F.[H][H]
InChIInChI=1S/C11H11ClF3NO2.H2/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);1H
InChIKeyJPJXNZLSUQPIOC-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{4-[(2-Chlorobenzyl)amino]phenyl}acetic acid
CID 5019661
(m-Ethylaminophenyl)acetic acid
CID 458700
2-Chloro-4-fluoro-5-(propylamino)benzoic acid
CID 19047132
2-[3-[[Carboxy-(2-chlorophenyl)methyl]amino]-4-fluorophenyl]propanoic acid
CID 20295999
2-[6-Chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde
CID 20792223
2-[6-Chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid
CID 20792224
2-[6-Chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]ethanol
CID 20792225
N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide
CID 20792234
2-[2-Chloro-6-(ethylamino)-3-fluorophenyl]acetic acid
CID 22349685
2-(3-{[2,2-Difluoro-2-(4-fluoronaphthyl)ethyl]amino}-6-chloro-2-fluorophenyl)acetic acid
CID 22475312
2-{3-[(2,2-Difluoro-2-phenylethyl)amino]-6-chloro-2-fluorophenyl}acetic Acid
CID 22475348
N-[4-chloro-2-fluor-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide
CID 22475352

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen?
The IUPAC name of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen (CID 158984402) is 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen.
What is the SMILES notation for 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen?
The canonical SMILES for 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen is CC(F)(F)CNc1ccc(Cl)c(CC(=O)O)c1F.[H][H].
What is the InChIKey of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen?
The InChIKey is JPJXNZLSUQPIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2.H2/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);1H.
What are the key properties of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen?
2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen has a molecular weight of 283.68 g/mol, XLogP of 3.42, 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;molecular hydrogen is sourced from PubChem (CID 158984402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).