ethyl 4-(3-fluoropropylamino)butanoate

C9H18FNO2 — CID 81106082

IUPACethyl 4-(3-fluoropropylamino)butanoate
SMILESCCOC(=O)CCCNCCCF
InChIInChI=1S/C9H18FNO2/c1-2-13-9(12)5-3-7-11-8-4-6-10/h11H,2-8H2,1H3
InChIKeySLNFGTWWSFATFE-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.28
Rot. Bonds8

About ethyl 4-(3-fluoropropylamino)butanoate

ethyl 4-(3-fluoropropylamino)butanoate (PubChem CID 81106082) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is ethyl 4-(3-fluoropropylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(3-fluoropropylamino)butanoate
PubChem CID81106082
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Nameethyl 4-(3-fluoropropylamino)butanoate
SMILESCCOC(=O)CCCNCCCF
InChIInChI=1S/C9H18FNO2/c1-2-13-9(12)5-3-7-11-8-4-6-10/h11H,2-8H2,1H3
InChIKeySLNFGTWWSFATFE-UHFFFAOYSA-N
XLogP1.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-(3-fluoropropylamino)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1)
CID 44909
Methyl 4-(ethylamino)butanoate hydrochloride
CID 118798526
Ethyl 4-(methylamino)butanoate
CID 14177892
4-(3-Methoxycarbonyl-propylamino)-butyric acid methyl ester
CID 54310204
Butanoic acid, 4-[(trifluoroacetyl)amino]-, butyl ester
CID 534737
Butan-2-yl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 602653
Butanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester, (S)-
CID 22217613
Methyl 4-(ethylamino)butanoate
CID 43216361
(4-Ethoxy-4-oxobutyl)-(2-fluoroethyl)-dimethylazanium
CID 86715993
1-Fluorobutyl 4-aminobutanoate
CID 87531176
(4-Methoxy-4-oxobutyl)-dimethylazanium;2,2,2-trifluoroacetate
CID 140144629
Ethyl 3-[(4-ethoxy-4-oxobutyl)amino]-2-fluoro-2-methylpropanoate
CID 144890486

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-fluoropropylamino)butanoate?
The IUPAC name of ethyl 4-(3-fluoropropylamino)butanoate (CID 81106082) is ethyl 4-(3-fluoropropylamino)butanoate.
What is the SMILES notation for ethyl 4-(3-fluoropropylamino)butanoate?
The canonical SMILES for ethyl 4-(3-fluoropropylamino)butanoate is CCOC(=O)CCCNCCCF.
What is the InChIKey of ethyl 4-(3-fluoropropylamino)butanoate?
The InChIKey is SLNFGTWWSFATFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-2-13-9(12)5-3-7-11-8-4-6-10/h11H,2-8H2,1H3.
What are the key properties of ethyl 4-(3-fluoropropylamino)butanoate?
ethyl 4-(3-fluoropropylamino)butanoate has a molecular weight of 191.25 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-fluoropropylamino)butanoate is sourced from PubChem (CID 81106082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).