4-[3-fluoropropyl(methyl)amino]butanoic acid

C8H16FNO2 — CID 81114003

IUPAC4-[3-fluoropropyl(methyl)amino]butanoic acid
SMILESCN(CCCF)CCCC(=O)O
InChIInChI=1S/C8H16FNO2/c1-10(7-3-5-9)6-2-4-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyYHMLXMKEWRQEPB-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.14
Rot. Bonds7

About 4-[3-fluoropropyl(methyl)amino]butanoic acid

4-[3-fluoropropyl(methyl)amino]butanoic acid (PubChem CID 81114003) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 4-[3-fluoropropyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3-fluoropropyl(methyl)amino]butanoic acid
PubChem CID81114003
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name4-[3-fluoropropyl(methyl)amino]butanoic acid
SMILESCN(CCCF)CCCC(=O)O
InChIInChI=1S/C8H16FNO2/c1-10(7-3-5-9)6-2-4-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyYHMLXMKEWRQEPB-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoropropyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[3-fluoropropyl(methyl)amino]butanoic acid (CID 81114003) is 4-[3-fluoropropyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[3-fluoropropyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[3-fluoropropyl(methyl)amino]butanoic acid is CN(CCCF)CCCC(=O)O.
What is the InChIKey of 4-[3-fluoropropyl(methyl)amino]butanoic acid?
The InChIKey is YHMLXMKEWRQEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-10(7-3-5-9)6-2-4-8(11)12/h2-7H2,1H3,(H,11,12).
What are the key properties of 4-[3-fluoropropyl(methyl)amino]butanoic acid?
4-[3-fluoropropyl(methyl)amino]butanoic acid has a molecular weight of 177.22 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoropropyl(methyl)amino]butanoic acid is sourced from PubChem (CID 81114003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).