fluoro 4-(diethylamino)butanoate

C8H16FNO2 — CID 177137447

IUPACfluoro 4-(diethylamino)butanoate
SMILESCCN(CC)CCCC(=O)OF
InChIInChI=1S/C8H16FNO2/c1-3-10(4-2)7-5-6-8(11)12-9/h3-7H2,1-2H3
InChIKeyCNBIRKYXSIENJP-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.54
Rot. Bonds6

About fluoro 4-(diethylamino)butanoate

fluoro 4-(diethylamino)butanoate (PubChem CID 177137447) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is fluoro 4-(diethylamino)butanoate.

Molecular Properties

Compound Namefluoro 4-(diethylamino)butanoate
PubChem CID177137447
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Namefluoro 4-(diethylamino)butanoate
SMILESCCN(CC)CCCC(=O)OF
InChIInChI=1S/C8H16FNO2/c1-3-10(4-2)7-5-6-8(11)12-9/h3-7H2,1-2H3
InChIKeyCNBIRKYXSIENJP-UHFFFAOYSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Gamma-Butyrobetaine
CID 725
4-Trimethylammoniobutanoate
CID 134
Carpronium Chloride
CID 25804
3-Carboxy-N-(2-Fluoroethyl)-N,N-Dimethylpropan-1-Aminium
CID 70673858
Carpronium
CID 2582
3-carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium chloride
CID 70673857
Butyric acid, 4-(diethylamino)-
CID 44844
Ethyl 4-(dimethylamino)butyrate
CID 30904
4-(Dipropylamino)butanoic acid hydrochloride
CID 49860448
4-(Diethylamino)butanoic acid hydrochloride
CID 13795539
4-[Cyclobutyl(dimethyl)azaniumyl]butanoate
CID 90655216
4-[Ethyl(dimethyl)ammonio]butanoate
CID 51347808

Frequently Asked Questions

What is the IUPAC name of fluoro 4-(diethylamino)butanoate?
The IUPAC name of fluoro 4-(diethylamino)butanoate (CID 177137447) is fluoro 4-(diethylamino)butanoate.
What is the SMILES notation for fluoro 4-(diethylamino)butanoate?
The canonical SMILES for fluoro 4-(diethylamino)butanoate is CCN(CC)CCCC(=O)OF.
What is the InChIKey of fluoro 4-(diethylamino)butanoate?
The InChIKey is CNBIRKYXSIENJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-3-10(4-2)7-5-6-8(11)12-9/h3-7H2,1-2H3.
What are the key properties of fluoro 4-(diethylamino)butanoate?
fluoro 4-(diethylamino)butanoate has a molecular weight of 177.22 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-(diethylamino)butanoate is sourced from PubChem (CID 177137447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).