butyl 4-amino-3-fluoro-3-methylpentanoate

C10H20FNO2 — CID 57135559

IUPACbutyl 4-amino-3-fluoro-3-methylpentanoate
SMILESCCCCOC(=O)CC(C)(F)C(C)N
InChIInChI=1S/C10H20FNO2/c1-4-5-6-14-9(13)7-10(3,11)8(2)12/h8H,4-7,12H2,1-3H3
InChIKeyYTKKZYRSUJZCEJ-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.80
Rot. Bonds6

About butyl 4-amino-3-fluoro-3-methylpentanoate

butyl 4-amino-3-fluoro-3-methylpentanoate (PubChem CID 57135559) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is butyl 4-amino-3-fluoro-3-methylpentanoate.

Molecular Properties

Compound Namebutyl 4-amino-3-fluoro-3-methylpentanoate
PubChem CID57135559
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Namebutyl 4-amino-3-fluoro-3-methylpentanoate
SMILESCCCCOC(=O)CC(C)(F)C(C)N
InChIInChI=1S/C10H20FNO2/c1-4-5-6-14-9(13)7-10(3,11)8(2)12/h8H,4-7,12H2,1-3H3
InChIKeyYTKKZYRSUJZCEJ-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 4-amino-3-fluoro-3-methylpentanoate?
The IUPAC name of butyl 4-amino-3-fluoro-3-methylpentanoate (CID 57135559) is butyl 4-amino-3-fluoro-3-methylpentanoate.
What is the SMILES notation for butyl 4-amino-3-fluoro-3-methylpentanoate?
The canonical SMILES for butyl 4-amino-3-fluoro-3-methylpentanoate is CCCCOC(=O)CC(C)(F)C(C)N.
What is the InChIKey of butyl 4-amino-3-fluoro-3-methylpentanoate?
The InChIKey is YTKKZYRSUJZCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-4-5-6-14-9(13)7-10(3,11)8(2)12/h8H,4-7,12H2,1-3H3.
What are the key properties of butyl 4-amino-3-fluoro-3-methylpentanoate?
butyl 4-amino-3-fluoro-3-methylpentanoate has a molecular weight of 205.27 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-amino-3-fluoro-3-methylpentanoate is sourced from PubChem (CID 57135559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).