N,N-diethyl-2-fluoroprop-2-enamide

C7H12FNO — CID 15129199

IUPACN,N-diethyl-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)N(CC)CC
InChIInChI=1S/C7H12FNO/c1-4-9(5-2)7(10)6(3)8/h3-5H2,1-2H3
InChIKeyPTDYMOFZZGNERI-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.34
Rot. Bonds3

About N,N-diethyl-2-fluoroprop-2-enamide

N,N-diethyl-2-fluoroprop-2-enamide (PubChem CID 15129199) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is N,N-diethyl-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-2-fluoroprop-2-enamide
PubChem CID15129199
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC NameN,N-diethyl-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)N(CC)CC
InChIInChI=1S/C7H12FNO/c1-4-9(5-2)7(10)6(3)8/h3-5H2,1-2H3
InChIKeyPTDYMOFZZGNERI-UHFFFAOYSA-N
XLogP1.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoroprop-2-enamide?
The IUPAC name of N,N-diethyl-2-fluoroprop-2-enamide (CID 15129199) is N,N-diethyl-2-fluoroprop-2-enamide.
What is the SMILES notation for N,N-diethyl-2-fluoroprop-2-enamide?
The canonical SMILES for N,N-diethyl-2-fluoroprop-2-enamide is C=C(F)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-fluoroprop-2-enamide?
The InChIKey is PTDYMOFZZGNERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-4-9(5-2)7(10)6(3)8/h3-5H2,1-2H3.
What are the key properties of N,N-diethyl-2-fluoroprop-2-enamide?
N,N-diethyl-2-fluoroprop-2-enamide has a molecular weight of 145.18 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoroprop-2-enamide is sourced from PubChem (CID 15129199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).