2-chloro-1-(1-fluorocyclopropyl)ethanone

C5H6ClFO — CID 11062445

IUPAC2-chloro-1-(1-fluorocyclopropyl)ethanone
SMILESO=C(CCl)C1(F)CC1
InChIInChI=1S/C5H6ClFO/c6-3-4(8)5(7)1-2-5/h1-3H2
InChIKeySIUGDIYNSOUYME-UHFFFAOYSA-N
MW136.55 g/mol
LogP1.30
Rot. Bonds2

About 2-chloro-1-(1-fluorocyclopropyl)ethanone

2-chloro-1-(1-fluorocyclopropyl)ethanone (PubChem CID 11062445) has the molecular formula C5H6ClFO and a molecular weight of 136.55 g/mol. Its IUPAC name is 2-chloro-1-(1-fluorocyclopropyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1-fluorocyclopropyl)ethanone
PubChem CID11062445
Molecular FormulaC5H6ClFO
Molecular Weight136.55 g/mol
Exact Mass136.01
IUPAC Name2-chloro-1-(1-fluorocyclopropyl)ethanone
SMILESO=C(CCl)C1(F)CC1
InChIInChI=1S/C5H6ClFO/c6-3-4(8)5(7)1-2-5/h1-3H2
InChIKeySIUGDIYNSOUYME-UHFFFAOYSA-N
XLogP1.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.55
LogP ≤ 51.30
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-chloro-1-(1-fluorocyclopropyl)ethanone?
The IUPAC name of 2-chloro-1-(1-fluorocyclopropyl)ethanone (CID 11062445) is 2-chloro-1-(1-fluorocyclopropyl)ethanone.
What is the SMILES notation for 2-chloro-1-(1-fluorocyclopropyl)ethanone?
The canonical SMILES for 2-chloro-1-(1-fluorocyclopropyl)ethanone is O=C(CCl)C1(F)CC1.
What is the InChIKey of 2-chloro-1-(1-fluorocyclopropyl)ethanone?
The InChIKey is SIUGDIYNSOUYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFO/c6-3-4(8)5(7)1-2-5/h1-3H2.
What are the key properties of 2-chloro-1-(1-fluorocyclopropyl)ethanone?
2-chloro-1-(1-fluorocyclopropyl)ethanone has a molecular weight of 136.55 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-fluorocyclopropyl)ethanone is sourced from PubChem (CID 11062445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).