3-(diethylamino)-2-fluoropropanoyl fluoride

C7H13F2NO — CID 88613986

IUPAC3-(diethylamino)-2-fluoropropanoyl fluoride
SMILESCCN(CC)CC(F)C(=O)F
InChIInChI=1S/C7H13F2NO/c1-3-10(4-2)5-6(8)7(9)11/h6H,3-5H2,1-2H3
InChIKeyQZEAOLUFGCJLND-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.16
Rot. Bonds5

About 3-(diethylamino)-2-fluoropropanoyl fluoride

3-(diethylamino)-2-fluoropropanoyl fluoride (PubChem CID 88613986) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-(diethylamino)-2-fluoropropanoyl fluoride.

Molecular Properties

Compound Name3-(diethylamino)-2-fluoropropanoyl fluoride
PubChem CID88613986
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-(diethylamino)-2-fluoropropanoyl fluoride
SMILESCCN(CC)CC(F)C(=O)F
InChIInChI=1S/C7H13F2NO/c1-3-10(4-2)5-6(8)7(9)11/h6H,3-5H2,1-2H3
InChIKeyQZEAOLUFGCJLND-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
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 3-(diethylamino)-2-fluoropropanoyl fluoride?
The IUPAC name of 3-(diethylamino)-2-fluoropropanoyl fluoride (CID 88613986) is 3-(diethylamino)-2-fluoropropanoyl fluoride.
What is the SMILES notation for 3-(diethylamino)-2-fluoropropanoyl fluoride?
The canonical SMILES for 3-(diethylamino)-2-fluoropropanoyl fluoride is CCN(CC)CC(F)C(=O)F.
What is the InChIKey of 3-(diethylamino)-2-fluoropropanoyl fluoride?
The InChIKey is QZEAOLUFGCJLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-3-10(4-2)5-6(8)7(9)11/h6H,3-5H2,1-2H3.
What are the key properties of 3-(diethylamino)-2-fluoropropanoyl fluoride?
3-(diethylamino)-2-fluoropropanoyl fluoride has a molecular weight of 165.18 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-2-fluoropropanoyl fluoride is sourced from PubChem (CID 88613986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).