ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate

C6H9F4NO2 — CID 171247408

IUPACethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate
SMILESCCOC(=O)C(F)[C@@H](N)C(F)(F)F
InChIInChI=1S/C6H9F4NO2/c1-2-13-5(12)3(7)4(11)6(8,9)10/h3-4H,2,11H2,1H3/t3?,4-/m1/s1
InChIKeyOWMJFFUEFRCVHB-SRBOSORUSA-N
MW203.13 g/mol
LogP0.78
Rot. Bonds3

About ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate

ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate (PubChem CID 171247408) has the molecular formula C6H9F4NO2 and a molecular weight of 203.13 g/mol. Its IUPAC name is ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate
PubChem CID171247408
Molecular FormulaC6H9F4NO2
Molecular Weight203.13 g/mol
Exact Mass203.06
IUPAC Nameethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate
SMILESCCOC(=O)C(F)[C@@H](N)C(F)(F)F
InChIInChI=1S/C6H9F4NO2/c1-2-13-5(12)3(7)4(11)6(8,9)10/h3-4H,2,11H2,1H3/t3?,4-/m1/s1
InChIKeyOWMJFFUEFRCVHB-SRBOSORUSA-N
XLogP0.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate
CID 150708955
ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate
CID 97048138
ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate
CID 118989031
ethyl (2S,3S)-3-amino-2-cyclohexyl-4,4,4-trifluorobutanoate
CID 151431520
ethyl (3S)-3-amino-2-fluoro-3-[4-(trifluoromethyl)phenyl]propanoate
CID 171245908
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
CID 91928398
ethyl (2R)-2-amino-4,4,4-trifluoro-3-oxobutanoate
CID 124559893
ethyl 2,3,5-trifluoropentanoate
CID 174529809
ethyl 3-amino-4,4,4-trifluorobutanoate
CID 2774311
ethyl 3,3,3-trifluoro-2-methoxypropanoate
CID 22913356
diethyl 2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]propanedioate
CID 129383390

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate?
The IUPAC name of ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate (CID 171247408) is ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate.
What is the SMILES notation for ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate?
The canonical SMILES for ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate is CCOC(=O)C(F)[C@@H](N)C(F)(F)F.
What is the InChIKey of ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate?
The InChIKey is OWMJFFUEFRCVHB-SRBOSORUSA-N. The full InChI is InChI=1S/C6H9F4NO2/c1-2-13-5(12)3(7)4(11)6(8,9)10/h3-4H,2,11H2,1H3/t3?,4-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate?
ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate has a molecular weight of 203.13 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate is sourced from PubChem (CID 171247408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).