5-chloro-3-fluoropentan-2-one

C5H8ClFO — CID 18954480

IUPAC5-chloro-3-fluoropentan-2-one
SMILESCC(=O)C(F)CCCl
InChIInChI=1S/C5H8ClFO/c1-4(8)5(7)2-3-6/h5H,2-3H2,1H3
InChIKeyUFZSXNVSIQXJBX-UHFFFAOYSA-N
MW138.57 g/mol
LogP1.54
Rot. Bonds3

About 5-chloro-3-fluoropentan-2-one

5-chloro-3-fluoropentan-2-one (PubChem CID 18954480) has the molecular formula C5H8ClFO and a molecular weight of 138.57 g/mol. Its IUPAC name is 5-chloro-3-fluoropentan-2-one.

Molecular Properties

Compound Name5-chloro-3-fluoropentan-2-one
PubChem CID18954480
Molecular FormulaC5H8ClFO
Molecular Weight138.57 g/mol
Exact Mass138.02
IUPAC Name5-chloro-3-fluoropentan-2-one
SMILESCC(=O)C(F)CCCl
InChIInChI=1S/C5H8ClFO/c1-4(8)5(7)2-3-6/h5H,2-3H2,1H3
InChIKeyUFZSXNVSIQXJBX-UHFFFAOYSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.57
LogP ≤ 51.54
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 5-chloro-3-fluoropentan-2-one?
The IUPAC name of 5-chloro-3-fluoropentan-2-one (CID 18954480) is 5-chloro-3-fluoropentan-2-one.
What is the SMILES notation for 5-chloro-3-fluoropentan-2-one?
The canonical SMILES for 5-chloro-3-fluoropentan-2-one is CC(=O)C(F)CCCl.
What is the InChIKey of 5-chloro-3-fluoropentan-2-one?
The InChIKey is UFZSXNVSIQXJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClFO/c1-4(8)5(7)2-3-6/h5H,2-3H2,1H3.
What are the key properties of 5-chloro-3-fluoropentan-2-one?
5-chloro-3-fluoropentan-2-one has a molecular weight of 138.57 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoropentan-2-one is sourced from PubChem (CID 18954480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).