fluoro 4-(dimethylamino)butanoate

C6H12FNO2 — CID 154937964

IUPACfluoro 4-(dimethylamino)butanoate
SMILESCN(C)CCCC(=O)OF
InChIInChI=1S/C6H12FNO2/c1-8(2)5-3-4-6(9)10-7/h3-5H2,1-2H3
InChIKeyKIKFPWOVOURPLZ-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.76
Rot. Bonds4

About fluoro 4-(dimethylamino)butanoate

fluoro 4-(dimethylamino)butanoate (PubChem CID 154937964) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is fluoro 4-(dimethylamino)butanoate.

Molecular Properties

Compound Namefluoro 4-(dimethylamino)butanoate
PubChem CID154937964
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Namefluoro 4-(dimethylamino)butanoate
SMILESCN(C)CCCC(=O)OF
InChIInChI=1S/C6H12FNO2/c1-8(2)5-3-4-6(9)10-7/h3-5H2,1-2H3
InChIKeyKIKFPWOVOURPLZ-UHFFFAOYSA-N
XLogP0.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Gamma-Butyrobetaine
CID 725
4-Trimethylammoniobutanoate
CID 134
4-(Dimethylamino)butyric acid hydrochloride
CID 12691640
Carpronium
CID 2582
Butanoic acid, 4-(dimethylamino)-, methyl ester
CID 210997
4-(Dimethylamino)butyric acid
CID 239820
4-[Ethyl(dimethyl)ammonio]butanoate
CID 51347808
4-[(Chloromethyl)(dimethyl)ammonio]butanoate
CID 66575659
4-[Methoxymethyl(dimethyl)azaniumyl]butanoate
CID 90655237
3-Carboxy-N,N,N-trimethyl-1-propanaminium chloride
CID 71314459
4-[Diethyl(methyl)azaniumyl]butanoate
CID 90655208
4-[Butyl(dimethyl)azaniumyl]butanoate
CID 90655211

Frequently Asked Questions

What is the IUPAC name of fluoro 4-(dimethylamino)butanoate?
The IUPAC name of fluoro 4-(dimethylamino)butanoate (CID 154937964) is fluoro 4-(dimethylamino)butanoate.
What is the SMILES notation for fluoro 4-(dimethylamino)butanoate?
The canonical SMILES for fluoro 4-(dimethylamino)butanoate is CN(C)CCCC(=O)OF.
What is the InChIKey of fluoro 4-(dimethylamino)butanoate?
The InChIKey is KIKFPWOVOURPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-8(2)5-3-4-6(9)10-7/h3-5H2,1-2H3.
What are the key properties of fluoro 4-(dimethylamino)butanoate?
fluoro 4-(dimethylamino)butanoate has a molecular weight of 149.16 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-(dimethylamino)butanoate is sourced from PubChem (CID 154937964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).