2-(tert-butylamino)acetyl fluoride

C6H12FNO — CID 156775944

IUPAC2-(tert-butylamino)acetyl fluoride
SMILESCC(C)(C)NCC(=O)F
InChIInChI=1S/C6H12FNO/c1-6(2,3)8-4-5(7)9/h8H,4H2,1-3H3
InChIKeyMKZBINRWDJEIPC-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.87
Rot. Bonds2

About 2-(tert-butylamino)acetyl fluoride

2-(tert-butylamino)acetyl fluoride (PubChem CID 156775944) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-(tert-butylamino)acetyl fluoride.

Molecular Properties

Compound Name2-(tert-butylamino)acetyl fluoride
PubChem CID156775944
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-(tert-butylamino)acetyl fluoride
SMILESCC(C)(C)NCC(=O)F
InChIInChI=1S/C6H12FNO/c1-6(2,3)8-4-5(7)9/h8H,4H2,1-3H3
InChIKeyMKZBINRWDJEIPC-UHFFFAOYSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)acetyl fluoride?
The IUPAC name of 2-(tert-butylamino)acetyl fluoride (CID 156775944) is 2-(tert-butylamino)acetyl fluoride.
What is the SMILES notation for 2-(tert-butylamino)acetyl fluoride?
The canonical SMILES for 2-(tert-butylamino)acetyl fluoride is CC(C)(C)NCC(=O)F.
What is the InChIKey of 2-(tert-butylamino)acetyl fluoride?
The InChIKey is MKZBINRWDJEIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-6(2,3)8-4-5(7)9/h8H,4H2,1-3H3.
What are the key properties of 2-(tert-butylamino)acetyl fluoride?
2-(tert-butylamino)acetyl fluoride has a molecular weight of 133.17 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)acetyl fluoride is sourced from PubChem (CID 156775944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).