N-chloro-2-fluoroacetamide

C2H3ClFNO — CID 12663093

IUPACN-chloro-2-fluoroacetamide
SMILESO=C(CF)NCl
InChIInChI=1S/C2H3ClFNO/c3-5-2(6)1-4/h1H2,(H,5,6)
InChIKeyQRTZSKHOWWPGSE-UHFFFAOYSA-N
MW111.50 g/mol
LogP0.23
Rot. Bonds1

About N-chloro-2-fluoroacetamide

N-chloro-2-fluoroacetamide (PubChem CID 12663093) has the molecular formula C2H3ClFNO and a molecular weight of 111.50 g/mol. Its IUPAC name is N-chloro-2-fluoroacetamide.

Molecular Properties

Compound NameN-chloro-2-fluoroacetamide
PubChem CID12663093
Molecular FormulaC2H3ClFNO
Molecular Weight111.50 g/mol
Exact Mass110.99
IUPAC NameN-chloro-2-fluoroacetamide
SMILESO=C(CF)NCl
InChIInChI=1S/C2H3ClFNO/c3-5-2(6)1-4/h1H2,(H,5,6)
InChIKeyQRTZSKHOWWPGSE-UHFFFAOYSA-N
XLogP0.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.50
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-2-fluoroacetamide?
The IUPAC name of N-chloro-2-fluoroacetamide (CID 12663093) is N-chloro-2-fluoroacetamide.
What is the SMILES notation for N-chloro-2-fluoroacetamide?
The canonical SMILES for N-chloro-2-fluoroacetamide is O=C(CF)NCl.
What is the InChIKey of N-chloro-2-fluoroacetamide?
The InChIKey is QRTZSKHOWWPGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClFNO/c3-5-2(6)1-4/h1H2,(H,5,6).
What are the key properties of N-chloro-2-fluoroacetamide?
N-chloro-2-fluoroacetamide has a molecular weight of 111.50 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-fluoroacetamide is sourced from PubChem (CID 12663093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).