methyl 3-(2-fluoroethylamino)-2-iodopropanoate

C6H11FINO2 — CID 103491977

IUPACmethyl 3-(2-fluoroethylamino)-2-iodopropanoate
SMILESCOC(=O)C(I)CNCCF
InChIInChI=1S/C6H11FINO2/c1-11-6(10)5(8)4-9-3-2-7/h5,9H,2-4H2,1H3
InChIKeyPNUWCAQONLFJQT-UHFFFAOYSA-N
MW275.06 g/mol
LogP0.52
Rot. Bonds5

About methyl 3-(2-fluoroethylamino)-2-iodopropanoate

methyl 3-(2-fluoroethylamino)-2-iodopropanoate (PubChem CID 103491977) has the molecular formula C6H11FINO2 and a molecular weight of 275.06 g/mol. Its IUPAC name is methyl 3-(2-fluoroethylamino)-2-iodopropanoate.

Molecular Properties

Compound Namemethyl 3-(2-fluoroethylamino)-2-iodopropanoate
PubChem CID103491977
Molecular FormulaC6H11FINO2
Molecular Weight275.06 g/mol
Exact Mass274.98
IUPAC Namemethyl 3-(2-fluoroethylamino)-2-iodopropanoate
SMILESCOC(=O)C(I)CNCCF
InChIInChI=1S/C6H11FINO2/c1-11-6(10)5(8)4-9-3-2-7/h5,9H,2-4H2,1H3
InChIKeyPNUWCAQONLFJQT-UHFFFAOYSA-N
XLogP0.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.06
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-iodo-3-(2-methoxyethylamino)propanoate
CID 103492044
methyl 3-(dodecylamino)-2-iodopropanoate
CID 103492046
methyl 3-(2-cyclopropylethylamino)-2-iodopropanoate
CID 103491987
methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate
CID 103492196
methyl 2-iodo-3-[2-(2-methoxyphenoxy)ethylamino]propanoate
CID 103492017
N-(2-fluoroethyl)-2-methoxypropan-1-amine
CID 102698074
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270
methyl 3-(3-aminopropylamino)-2-bromopropanoate
CID 103248096
methyl 2,4,4-triiodobutanoate
CID 13086506
methyl 3-[(4-bromothiophen-2-yl)methylamino]-2-iodopropanoate
CID 103492011
N-(2-fluoroethyl)-2-methylpropan-1-amine
CID 80699547
methyl 2-iodo-3-(propan-2-ylsulfonylamino)propanoate
CID 103493657

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluoroethylamino)-2-iodopropanoate?
The IUPAC name of methyl 3-(2-fluoroethylamino)-2-iodopropanoate (CID 103491977) is methyl 3-(2-fluoroethylamino)-2-iodopropanoate.
What is the SMILES notation for methyl 3-(2-fluoroethylamino)-2-iodopropanoate?
The canonical SMILES for methyl 3-(2-fluoroethylamino)-2-iodopropanoate is COC(=O)C(I)CNCCF.
What is the InChIKey of methyl 3-(2-fluoroethylamino)-2-iodopropanoate?
The InChIKey is PNUWCAQONLFJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FINO2/c1-11-6(10)5(8)4-9-3-2-7/h5,9H,2-4H2,1H3.
What are the key properties of methyl 3-(2-fluoroethylamino)-2-iodopropanoate?
methyl 3-(2-fluoroethylamino)-2-iodopropanoate has a molecular weight of 275.06 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluoroethylamino)-2-iodopropanoate is sourced from PubChem (CID 103491977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).