ethyl 3-[2-fluoropropyl(methyl)amino]propanoate

C9H18FNO2 — CID 44521775

IUPACethyl 3-[2-fluoropropyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)CC(C)F
InChIInChI=1S/C9H18FNO2/c1-4-13-9(12)5-6-11(3)7-8(2)10/h8H,4-7H2,1-3H3
InChIKeyKVSUHXFTEQTVHI-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.23
Rot. Bonds6

About ethyl 3-[2-fluoropropyl(methyl)amino]propanoate

ethyl 3-[2-fluoropropyl(methyl)amino]propanoate (PubChem CID 44521775) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is ethyl 3-[2-fluoropropyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-fluoropropyl(methyl)amino]propanoate
PubChem CID44521775
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Nameethyl 3-[2-fluoropropyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)CC(C)F
InChIInChI=1S/C9H18FNO2/c1-4-13-9(12)5-6-11(3)7-8(2)10/h8H,4-7H2,1-3H3
InChIKeyKVSUHXFTEQTVHI-UHFFFAOYSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[methyl(2-methylpentyl)amino]propanoate
CID 62265391
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
ethyl 3-[amino(butan-2-yl)amino]propanoate
CID 156543048
ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 10515446
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate
CID 62326480
ethyl 3-[methylsulfanyl(propan-2-yl)amino]propanoate
CID 59018172
ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829
ethyl 3-[acetyl(dimethylamino)amino]propanoate
CID 3024684
ethyl 3-[[3-ethylperoxy-2-(4-fluorophenyl)propyl]-methylamino]propanoate
CID 88585554
ethyl 3-[ethoxycarbonyl-(3-ethoxy-3-oxopropyl)amino]butanoate
CID 15696583

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-fluoropropyl(methyl)amino]propanoate?
The IUPAC name of ethyl 3-[2-fluoropropyl(methyl)amino]propanoate (CID 44521775) is ethyl 3-[2-fluoropropyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[2-fluoropropyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 3-[2-fluoropropyl(methyl)amino]propanoate is CCOC(=O)CCN(C)CC(C)F.
What is the InChIKey of ethyl 3-[2-fluoropropyl(methyl)amino]propanoate?
The InChIKey is KVSUHXFTEQTVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-4-13-9(12)5-6-11(3)7-8(2)10/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 3-[2-fluoropropyl(methyl)amino]propanoate?
ethyl 3-[2-fluoropropyl(methyl)amino]propanoate has a molecular weight of 191.25 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-fluoropropyl(methyl)amino]propanoate is sourced from PubChem (CID 44521775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).