2-(diethylamino)propanoyl fluoride;hydrofluoride

C7H15F2NO — CID 88650459

IUPAC2-(diethylamino)propanoyl fluoride;hydrofluoride
SMILESCCN(CC)C(C)C(=O)F.F
InChIInChI=1S/C7H14FNO.FH/c1-4-9(5-2)6(3)7(8)10;/h6H,4-5H2,1-3H3;1H
InChIKeyPHSNUAOAYGYZGG-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.37
Rot. Bonds4

About 2-(diethylamino)propanoyl fluoride;hydrofluoride

2-(diethylamino)propanoyl fluoride;hydrofluoride (PubChem CID 88650459) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-(diethylamino)propanoyl fluoride;hydrofluoride.

Molecular Properties

Compound Name2-(diethylamino)propanoyl fluoride;hydrofluoride
PubChem CID88650459
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name2-(diethylamino)propanoyl fluoride;hydrofluoride
SMILESCCN(CC)C(C)C(=O)F.F
InChIInChI=1S/C7H14FNO.FH/c1-4-9(5-2)6(3)7(8)10;/h6H,4-5H2,1-3H3;1H
InChIKeyPHSNUAOAYGYZGG-UHFFFAOYSA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(diethylamino)propanoic acid
CID 18664197
(2S)-2-(diethylamino)propanethioic S-acid
CID 129068089
2-(dimethylamino)propanoyl fluoride;hydrofluoride
CID 19898075
(2R)-2-(diethylamino)-4-methylhexan-3-one
CID 130410399
3-(diethylamino)-2-methylidenebutanoic acid
CID 87069221
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495906
2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3031109
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
N-[1-(diethylamino)ethyl]-N-methylacetamide
CID 141054197
1-(diethylamino)ethyl 2,2,2-trifluoroacetate
CID 141198748
2-[ethyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60686110

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)propanoyl fluoride;hydrofluoride?
The IUPAC name of 2-(diethylamino)propanoyl fluoride;hydrofluoride (CID 88650459) is 2-(diethylamino)propanoyl fluoride;hydrofluoride.
What is the SMILES notation for 2-(diethylamino)propanoyl fluoride;hydrofluoride?
The canonical SMILES for 2-(diethylamino)propanoyl fluoride;hydrofluoride is CCN(CC)C(C)C(=O)F.F.
What is the InChIKey of 2-(diethylamino)propanoyl fluoride;hydrofluoride?
The InChIKey is PHSNUAOAYGYZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO.FH/c1-4-9(5-2)6(3)7(8)10;/h6H,4-5H2,1-3H3;1H.
What are the key properties of 2-(diethylamino)propanoyl fluoride;hydrofluoride?
2-(diethylamino)propanoyl fluoride;hydrofluoride has a molecular weight of 167.20 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)propanoyl fluoride;hydrofluoride is sourced from PubChem (CID 88650459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).