N,N-diethylcarbamoyl fluoride

C5H10FNO — CID 12750942

IUPACN,N-diethylcarbamoyl fluoride
SMILESCCN(CC)C(=O)F
InChIInChI=1S/C5H10FNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3
InChIKeyVHDCQXZUGLTOHS-UHFFFAOYSA-N
MW119.14 g/mol
LogP1.42
Rot. Bonds2

About N,N-diethylcarbamoyl fluoride

N,N-diethylcarbamoyl fluoride (PubChem CID 12750942) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is N,N-diethylcarbamoyl fluoride.

Molecular Properties

Compound NameN,N-diethylcarbamoyl fluoride
PubChem CID12750942
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC NameN,N-diethylcarbamoyl fluoride
SMILESCCN(CC)C(=O)F
InChIInChI=1S/C5H10FNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3
InChIKeyVHDCQXZUGLTOHS-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylcarbamoyl fluoride?
The IUPAC name of N,N-diethylcarbamoyl fluoride (CID 12750942) is N,N-diethylcarbamoyl fluoride.
What is the SMILES notation for N,N-diethylcarbamoyl fluoride?
The canonical SMILES for N,N-diethylcarbamoyl fluoride is CCN(CC)C(=O)F.
What is the InChIKey of N,N-diethylcarbamoyl fluoride?
The InChIKey is VHDCQXZUGLTOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3.
What are the key properties of N,N-diethylcarbamoyl fluoride?
N,N-diethylcarbamoyl fluoride has a molecular weight of 119.14 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylcarbamoyl fluoride is sourced from PubChem (CID 12750942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).