ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate

C10H10Cl2F2N2O2 — CID 171240861

IUPACethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)[C@H](N)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H10Cl2F2N2O2/c1-2-18-9(17)10(13,14)7(15)5-3-4-6(11)16-8(5)12/h3-4,7H,2,15H2,1H3/t7-/m1/s1
InChIKeyICILVPMUVABPML-SSDOTTSWSA-N
MW299.10 g/mol
LogP2.59
Rot. Bonds4

About ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate

ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate (PubChem CID 171240861) has the molecular formula C10H10Cl2F2N2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate
PubChem CID171240861
Molecular FormulaC10H10Cl2F2N2O2
Molecular Weight299.10 g/mol
Exact Mass298.01
IUPAC Nameethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)[C@H](N)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H10Cl2F2N2O2/c1-2-18-9(17)10(13,14)7(15)5-3-4-6(11)16-8(5)12/h3-4,7H,2,15H2,1H3/t7-/m1/s1
InChIKeyICILVPMUVABPML-SSDOTTSWSA-N
XLogP2.59
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl (3R)-3-amino-3-(2-chloro-4-fluorophenyl)-2,2-difluoropropanoate
CID 171241064
ethyl (3S)-3-amino-3-(2,6-dichloro-3-pyridinyl)propanoate
CID 171223154
diethyl 2-(2,6-dichloro-3-pyridinyl)propanedioate
CID 153378550
ethyl (3R)-3-amino-3-(2-bromo-4-methylphenyl)-2,2-difluoropropanoate
CID 171240367
ethyl (3S)-3-amino-3-(5-chloro-2-fluorophenyl)-2,2-difluoropropanoate;hydrochloride
CID 171247068
ethyl (3S)-3-amino-3-(2-bromo-4-fluorophenyl)-2,2-difluoropropanoate
CID 171246734
ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride
CID 171244142
ethyl (3R)-3-amino-2,2-difluoro-3-(2-fluoro-4-methylphenyl)propanoate
CID 171240303
ethyl (3S)-3-amino-3-(2,4-dimethoxyphenyl)-2,2-difluoropropanoate
CID 171246682
ethyl (3S)-3-amino-2,2-difluoro-3-(4-hydroxy-2-methoxyphenyl)propanoate
CID 171246553
ethyl (3R)-3-amino-2,2-difluoro-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 171239923
ethyl (3S)-3-amino-3-(2,4-dihydroxyphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171246311

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate?
The IUPAC name of ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate (CID 171240861) is ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate.
What is the SMILES notation for ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate?
The canonical SMILES for ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate is CCOC(=O)C(F)(F)[C@H](N)c1ccc(Cl)nc1Cl.
What is the InChIKey of ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate?
The InChIKey is ICILVPMUVABPML-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10Cl2F2N2O2/c1-2-18-9(17)10(13,14)7(15)5-3-4-6(11)16-8(5)12/h3-4,7H,2,15H2,1H3/t7-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate?
ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate has a molecular weight of 299.10 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate is sourced from PubChem (CID 171240861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).