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

C5H6ClFO — CID 59649472

IUPAC1-(2-chloro-2-fluorocyclopropyl)ethanone
SMILESCC(=O)C1CC1(F)Cl
InChIInChI=1S/C5H6ClFO/c1-3(8)4-2-5(4,6)7/h4H,2H2,1H3
InChIKeyFPTFIXURQYHCMQ-UHFFFAOYSA-N
MW136.55 g/mol
LogP1.50
Rot. Bonds1

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

1-(2-chloro-2-fluorocyclopropyl)ethanone (PubChem CID 59649472) has the molecular formula C5H6ClFO and a molecular weight of 136.55 g/mol. Its IUPAC name is 1-(2-chloro-2-fluorocyclopropyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-2-fluorocyclopropyl)ethanone
PubChem CID59649472
Molecular FormulaC5H6ClFO
Molecular Weight136.55 g/mol
Exact Mass136.01
IUPAC Name1-(2-chloro-2-fluorocyclopropyl)ethanone
SMILESCC(=O)C1CC1(F)Cl
InChIInChI=1S/C5H6ClFO/c1-3(8)4-2-5(4,6)7/h4H,2H2,1H3
InChIKeyFPTFIXURQYHCMQ-UHFFFAOYSA-N
XLogP1.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.55
LogP ≤ 51.50
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 1-(2-chloro-2-fluorocyclopropyl)ethanone?
The IUPAC name of 1-(2-chloro-2-fluorocyclopropyl)ethanone (CID 59649472) is 1-(2-chloro-2-fluorocyclopropyl)ethanone.
What is the SMILES notation for 1-(2-chloro-2-fluorocyclopropyl)ethanone?
The canonical SMILES for 1-(2-chloro-2-fluorocyclopropyl)ethanone is CC(=O)C1CC1(F)Cl.
What is the InChIKey of 1-(2-chloro-2-fluorocyclopropyl)ethanone?
The InChIKey is FPTFIXURQYHCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFO/c1-3(8)4-2-5(4,6)7/h4H,2H2,1H3.
What are the key properties of 1-(2-chloro-2-fluorocyclopropyl)ethanone?
1-(2-chloro-2-fluorocyclopropyl)ethanone has a molecular weight of 136.55 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-fluorocyclopropyl)ethanone is sourced from PubChem (CID 59649472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).