fluoro 2-[(propan-2-ylamino)methyl]butanoate

C8H16FNO2 — CID 174631551

IUPACfluoro 2-[(propan-2-ylamino)methyl]butanoate
SMILESCCC(CNC(C)C)C(=O)OF
InChIInChI=1S/C8H16FNO2/c1-4-7(8(11)12-9)5-10-6(2)3/h6-7,10H,4-5H2,1-3H3
InChIKeyXVBLDLDLLZEYFE-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.44
Rot. Bonds5

About fluoro 2-[(propan-2-ylamino)methyl]butanoate

fluoro 2-[(propan-2-ylamino)methyl]butanoate (PubChem CID 174631551) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is fluoro 2-[(propan-2-ylamino)methyl]butanoate.

Molecular Properties

Compound Namefluoro 2-[(propan-2-ylamino)methyl]butanoate
PubChem CID174631551
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Namefluoro 2-[(propan-2-ylamino)methyl]butanoate
SMILESCCC(CNC(C)C)C(=O)OF
InChIInChI=1S/C8H16FNO2/c1-4-7(8(11)12-9)5-10-6(2)3/h6-7,10H,4-5H2,1-3H3
InChIKeyXVBLDLDLLZEYFE-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze fluoro 2-[(propan-2-ylamino)methyl]butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[(propan-2-ylamino)methyl]butanoate?
The IUPAC name of fluoro 2-[(propan-2-ylamino)methyl]butanoate (CID 174631551) is fluoro 2-[(propan-2-ylamino)methyl]butanoate.
What is the SMILES notation for fluoro 2-[(propan-2-ylamino)methyl]butanoate?
The canonical SMILES for fluoro 2-[(propan-2-ylamino)methyl]butanoate is CCC(CNC(C)C)C(=O)OF.
What is the InChIKey of fluoro 2-[(propan-2-ylamino)methyl]butanoate?
The InChIKey is XVBLDLDLLZEYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-4-7(8(11)12-9)5-10-6(2)3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of fluoro 2-[(propan-2-ylamino)methyl]butanoate?
fluoro 2-[(propan-2-ylamino)methyl]butanoate has a molecular weight of 177.22 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[(propan-2-ylamino)methyl]butanoate is sourced from PubChem (CID 174631551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).