3-(diethylamino)-3-fluoropropanoyl fluoride

C7H13F2NO — CID 88613987

IUPAC3-(diethylamino)-3-fluoropropanoyl fluoride
SMILESCCN(CC)C(F)CC(=O)F
InChIInChI=1S/C7H13F2NO/c1-3-10(4-2)6(8)5-7(9)11/h6H,3-5H2,1-2H3
InChIKeySKCRBHCOOITDLU-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.51
Rot. Bonds5

About 3-(diethylamino)-3-fluoropropanoyl fluoride

3-(diethylamino)-3-fluoropropanoyl fluoride (PubChem CID 88613987) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-(diethylamino)-3-fluoropropanoyl fluoride.

Molecular Properties

Compound Name3-(diethylamino)-3-fluoropropanoyl fluoride
PubChem CID88613987
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-(diethylamino)-3-fluoropropanoyl fluoride
SMILESCCN(CC)C(F)CC(=O)F
InChIInChI=1S/C7H13F2NO/c1-3-10(4-2)6(8)5-7(9)11/h6H,3-5H2,1-2H3
InChIKeySKCRBHCOOITDLU-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
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

4-(Diethylamino)-3,4,4-trifluorobutan-2-one
CID 20449861
3-[Methyl(2,2,2-trifluoroethyl)amino]propanal
CID 63039019
3-(Diethylamino)-2-fluoropropanoyl fluoride
CID 88613986
4-[Ethyl(fluoromethyl)amino]butan-2-one
CID 123642252
3-(Dimethylamino)propanoyl fluoride
CID 139607788
3-(Diethylamino)propanoyl fluoride
CID 139607789
3-(Dimethylamino)-2-methylpropanoyl fluoride
CID 139608244
3-(Diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride
CID 141425994
3-(Dipropylamino)propanoyl fluoride
CID 153945521
3-(Dibutylamino)propanoyl fluoride
CID 153972716
4-Diethylamino-1,1,1-trifluorobutan-2-one
CID 2782516
4-[Methyl(2,2,2-trifluoroethyl)amino]butan-2-one
CID 60892554

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-fluoropropanoyl fluoride?
The IUPAC name of 3-(diethylamino)-3-fluoropropanoyl fluoride (CID 88613987) is 3-(diethylamino)-3-fluoropropanoyl fluoride.
What is the SMILES notation for 3-(diethylamino)-3-fluoropropanoyl fluoride?
The canonical SMILES for 3-(diethylamino)-3-fluoropropanoyl fluoride is CCN(CC)C(F)CC(=O)F.
What is the InChIKey of 3-(diethylamino)-3-fluoropropanoyl fluoride?
The InChIKey is SKCRBHCOOITDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-3-10(4-2)6(8)5-7(9)11/h6H,3-5H2,1-2H3.
What are the key properties of 3-(diethylamino)-3-fluoropropanoyl fluoride?
3-(diethylamino)-3-fluoropropanoyl fluoride has a molecular weight of 165.18 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-fluoropropanoyl fluoride is sourced from PubChem (CID 88613987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).