ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride

C9H11Cl2F2NO3 — CID 171244142

IUPACethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride
SMILESCCOC(=O)C(F)(F)[C@H](N)c1ccc(Cl)o1.Cl
InChIInChI=1S/C9H10ClF2NO3.ClH/c1-2-15-8(14)9(11,12)7(13)5-3-4-6(10)16-5;/h3-4,7H,2,13H2,1H3;1H/t7-;/m1./s1
InChIKeyIDYHHZKKIRSZHT-OGFXRTJISA-N
MW290.09 g/mol
LogP2.55
Rot. Bonds4

About ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride

ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride (PubChem CID 171244142) has the molecular formula C9H11Cl2F2NO3 and a molecular weight of 290.09 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride
PubChem CID171244142
Molecular FormulaC9H11Cl2F2NO3
Molecular Weight290.09 g/mol
Exact Mass289.01
IUPAC Nameethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride
SMILESCCOC(=O)C(F)(F)[C@H](N)c1ccc(Cl)o1.Cl
InChIInChI=1S/C9H10ClF2NO3.ClH/c1-2-15-8(14)9(11,12)7(13)5-3-4-6(10)16-5;/h3-4,7H,2,13H2,1H3;1H/t7-;/m1./s1
InChIKeyIDYHHZKKIRSZHT-OGFXRTJISA-N
XLogP2.55
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propanoate;hydrochloride
CID 171250473
ethyl (3S)-3-amino-3-(5-bromofuran-2-yl)-2,2-difluoropropanoate
CID 171246277
ethyl (3S)-3-amino-3-(5-chloro-2-fluorophenyl)-2,2-difluoropropanoate;hydrochloride
CID 171247068
ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate
CID 171240861
ethyl (3S)-3-amino-2,2-difluoro-3-[2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171248576
ethyl (3S)-3-amino-3-(3-chloro-2,6-difluorophenyl)-2,2-difluoropropanoate;hydrochloride
CID 171249379
ethyl (3S)-3-amino-3-(5-chlorofuran-2-yl)propanoate
CID 171233148
ethyl (3R)-3-amino-2,2-difluoro-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 171239923
4-[(1S)-1-amino-3-ethoxy-2,2-difluoro-3-oxopropyl]benzoic acid;hydrochloride
CID 171245566
ethyl (3S)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171246981
ethyl (3R)-3-amino-3-(3-chloro-6-fluoro-2-hydroxyphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171255855
ethyl (3S)-3-amino-3-(3-chloro-4-fluorophenyl)-2,2-difluoropropanoate
CID 171246798

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride?
The IUPAC name of ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride (CID 171244142) is ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride.
What is the SMILES notation for ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride?
The canonical SMILES for ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride is CCOC(=O)C(F)(F)[C@H](N)c1ccc(Cl)o1.Cl.
What is the InChIKey of ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride?
The InChIKey is IDYHHZKKIRSZHT-OGFXRTJISA-N. The full InChI is InChI=1S/C9H10ClF2NO3.ClH/c1-2-15-8(14)9(11,12)7(13)5-3-4-6(10)16-5;/h3-4,7H,2,13H2,1H3;1H/t7-;/m1./s1.
What are the key properties of ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride?
ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride has a molecular weight of 290.09 g/mol, XLogP of 2.55, 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-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride is sourced from PubChem (CID 171244142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).