ethyl 2-(fluoroamino)propanoate

C5H10FNO2 — CID 89108988

IUPACethyl 2-(fluoroamino)propanoate
SMILESCCOC(=O)C(C)NF
InChIInChI=1S/C5H10FNO2/c1-3-9-5(8)4(2)7-6/h4,7H,3H2,1-2H3
InChIKeyYKRFPOHWRVBTLH-UHFFFAOYSA-N
MW135.14 g/mol
LogP0.41
Rot. Bonds3

About ethyl 2-(fluoroamino)propanoate

ethyl 2-(fluoroamino)propanoate (PubChem CID 89108988) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is ethyl 2-(fluoroamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(fluoroamino)propanoate
PubChem CID89108988
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Nameethyl 2-(fluoroamino)propanoate
SMILESCCOC(=O)C(C)NF
InChIInChI=1S/C5H10FNO2/c1-3-9-5(8)4(2)7-6/h4,7H,3H2,1-2H3
InChIKeyYKRFPOHWRVBTLH-UHFFFAOYSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-(fluoroamino)propanoate
CID 141384142
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl (2S)-2-acetamidopropanoate
CID 11805045
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
ethyl 2-(3-methylbut-3-enylamino)propanoate
CID 114472161
ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate
CID 58445974
ethyl 2-(carbamothioylamino)propanoate
CID 61498979
CID 172703702
CID 172703702
ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane
CID 161235723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(fluoroamino)propanoate?
The IUPAC name of ethyl 2-(fluoroamino)propanoate (CID 89108988) is ethyl 2-(fluoroamino)propanoate.
What is the SMILES notation for ethyl 2-(fluoroamino)propanoate?
The canonical SMILES for ethyl 2-(fluoroamino)propanoate is CCOC(=O)C(C)NF.
What is the InChIKey of ethyl 2-(fluoroamino)propanoate?
The InChIKey is YKRFPOHWRVBTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-3-9-5(8)4(2)7-6/h4,7H,3H2,1-2H3.
What are the key properties of ethyl 2-(fluoroamino)propanoate?
ethyl 2-(fluoroamino)propanoate has a molecular weight of 135.14 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(fluoroamino)propanoate is sourced from PubChem (CID 89108988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).