3-butyl-N,N-diethyl-2-fluorohept-2-enamide

C15H28FNO — CID 15737961

IUPAC3-butyl-N,N-diethyl-2-fluorohept-2-enamide
SMILESCCCCC(CCCC)=C(F)C(=O)N(CC)CC
InChIInChI=1S/C15H28FNO/c1-5-9-11-13(12-10-6-2)14(16)15(18)17(7-3)8-4/h5-12H2,1-4H3
InChIKeyQFRYQLIFMZBCPX-UHFFFAOYSA-N
MW257.39 g/mol
LogP4.46
Rot. Bonds9

About 3-butyl-N,N-diethyl-2-fluorohept-2-enamide

3-butyl-N,N-diethyl-2-fluorohept-2-enamide (PubChem CID 15737961) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is 3-butyl-N,N-diethyl-2-fluorohept-2-enamide.

Molecular Properties

Compound Name3-butyl-N,N-diethyl-2-fluorohept-2-enamide
PubChem CID15737961
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC Name3-butyl-N,N-diethyl-2-fluorohept-2-enamide
SMILESCCCCC(CCCC)=C(F)C(=O)N(CC)CC
InChIInChI=1S/C15H28FNO/c1-5-9-11-13(12-10-6-2)14(16)15(18)17(7-3)8-4/h5-12H2,1-4H3
InChIKeyQFRYQLIFMZBCPX-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-butyl-2-fluoro-N-prop-2-ynylhept-2-enamide
CID 178251808
(E)-N,N-diethyl-2-methyldec-2-enamide
CID 12124211
(E)-N,N-diethyl-2,3-dimethylhex-2-enamide
CID 102303658
(E)-N,N-diethyl-2,3-dimethylhept-2-enamide
CID 137429133
(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide
CID 88465984
(E)-3-ethenyl-N,N-diethylnon-2-enamide
CID 101369156
(E)-N,N-diethyl-2,3-dimethyloct-2-enamide
CID 102303659
(E)-N,N-diethyl-7-methylideneundec-2-enamide
CID 177471743

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N,N-diethyl-2-fluorohept-2-enamide?
The IUPAC name of 3-butyl-N,N-diethyl-2-fluorohept-2-enamide (CID 15737961) is 3-butyl-N,N-diethyl-2-fluorohept-2-enamide.
What is the SMILES notation for 3-butyl-N,N-diethyl-2-fluorohept-2-enamide?
The canonical SMILES for 3-butyl-N,N-diethyl-2-fluorohept-2-enamide is CCCCC(CCCC)=C(F)C(=O)N(CC)CC.
What is the InChIKey of 3-butyl-N,N-diethyl-2-fluorohept-2-enamide?
The InChIKey is QFRYQLIFMZBCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO/c1-5-9-11-13(12-10-6-2)14(16)15(18)17(7-3)8-4/h5-12H2,1-4H3.
What are the key properties of 3-butyl-N,N-diethyl-2-fluorohept-2-enamide?
3-butyl-N,N-diethyl-2-fluorohept-2-enamide has a molecular weight of 257.39 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N,N-diethyl-2-fluorohept-2-enamide is sourced from PubChem (CID 15737961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).