2,2-dichloro-N,N-diethyl-2-fluoroacetamide

C6H10Cl2FNO — CID 131856930

IUPAC2,2-dichloro-N,N-diethyl-2-fluoroacetamide
SMILESCCN(CC)C(=O)C(F)(Cl)Cl
InChIInChI=1S/C6H10Cl2FNO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyLNKOYMOOUSQPKD-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.96
Rot. Bonds3

About 2,2-dichloro-N,N-diethyl-2-fluoroacetamide

2,2-dichloro-N,N-diethyl-2-fluoroacetamide (PubChem CID 131856930) has the molecular formula C6H10Cl2FNO and a molecular weight of 202.06 g/mol. Its IUPAC name is 2,2-dichloro-N,N-diethyl-2-fluoroacetamide.

Molecular Properties

Compound Name2,2-dichloro-N,N-diethyl-2-fluoroacetamide
PubChem CID131856930
Molecular FormulaC6H10Cl2FNO
Molecular Weight202.06 g/mol
Exact Mass201.01
IUPAC Name2,2-dichloro-N,N-diethyl-2-fluoroacetamide
SMILESCCN(CC)C(=O)C(F)(Cl)Cl
InChIInChI=1S/C6H10Cl2FNO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyLNKOYMOOUSQPKD-UHFFFAOYSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N,N-diethyl-2-fluoroacetamide?
The IUPAC name of 2,2-dichloro-N,N-diethyl-2-fluoroacetamide (CID 131856930) is 2,2-dichloro-N,N-diethyl-2-fluoroacetamide.
What is the SMILES notation for 2,2-dichloro-N,N-diethyl-2-fluoroacetamide?
The canonical SMILES for 2,2-dichloro-N,N-diethyl-2-fluoroacetamide is CCN(CC)C(=O)C(F)(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N,N-diethyl-2-fluoroacetamide?
The InChIKey is LNKOYMOOUSQPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2FNO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 2,2-dichloro-N,N-diethyl-2-fluoroacetamide?
2,2-dichloro-N,N-diethyl-2-fluoroacetamide has a molecular weight of 202.06 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N,N-diethyl-2-fluoroacetamide is sourced from PubChem (CID 131856930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).