N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride

C7H11FN2O — CID 145324405

IUPACN-(1-cyanopropyl)-N-ethylcarbamoyl fluoride
SMILESCCC(C#N)N(CC)C(=O)F
InChIInChI=1S/C7H11FN2O/c1-3-6(5-9)10(4-2)7(8)11/h6H,3-4H2,1-2H3
InChIKeyOGZRXEUUHWNOAM-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.70
Rot. Bonds3

About N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride

N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride (PubChem CID 145324405) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride.

Molecular Properties

Compound NameN-(1-cyanopropyl)-N-ethylcarbamoyl fluoride
PubChem CID145324405
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC NameN-(1-cyanopropyl)-N-ethylcarbamoyl fluoride
SMILESCCC(C#N)N(CC)C(=O)F
InChIInChI=1S/C7H11FN2O/c1-3-6(5-9)10(4-2)7(8)11/h6H,3-4H2,1-2H3
InChIKeyOGZRXEUUHWNOAM-UHFFFAOYSA-N
XLogP1.70
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanopropyl)-N-ethyl-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
CID 167764715
methyl 2-[1-cyanopropyl(methyl)amino]acetate
CID 62026696
N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide
CID 23566324
(2R)-2-amino-N-[(1S)-1-cyanopropyl]-N-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanamide
CID 71146235
methyl 2-[1-cyanopropyl(propyl)amino]acetate
CID 62012139
N-(1-cyanopropyl)-N-methylsulfamoyl chloride
CID 165441442
2-[tert-butyl(methyl)amino]butanenitrile
CID 131042898
methyl 2-[1-cyanopropyl(methyl)amino]benzoate
CID 62027309
N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride
CID 54081738
2-(diethylamino)-3-oxopentanenitrile
CID 22288438
2-(N-ethylanilino)butanenitrile
CID 21413076
N-butan-2-yl-N-ethylcarbamoyl bromide
CID 140982150

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride?
The IUPAC name of N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride (CID 145324405) is N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride.
What is the SMILES notation for N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride?
The canonical SMILES for N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride is CCC(C#N)N(CC)C(=O)F.
What is the InChIKey of N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride?
The InChIKey is OGZRXEUUHWNOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-3-6(5-9)10(4-2)7(8)11/h6H,3-4H2,1-2H3.
What are the key properties of N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride?
N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride has a molecular weight of 158.18 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride is sourced from PubChem (CID 145324405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).