4-chloro-1-(4-fluorophenyl)butan-1-one

C10H10ClFO — CID 19750

IUPAC4-chloro-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCCl)c1ccc(F)cc1
InChIInChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
InChIKeyHXAOUYGZEOZTJO-UHFFFAOYSA-N
MW200.64 g/mol
LogP3.03
Rot. Bonds4

About 4-chloro-1-(4-fluorophenyl)butan-1-one

4-chloro-1-(4-fluorophenyl)butan-1-one (PubChem CID 19750) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-chloro-1-(4-fluorophenyl)butan-1-one
PubChem CID19750
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name4-chloro-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCCl)c1ccc(F)cc1
InChIInChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
InChIKeyHXAOUYGZEOZTJO-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 53.03
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 4-chloro-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-chloro-1-(4-fluorophenyl)butan-1-one (CID 19750) is 4-chloro-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-chloro-1-(4-fluorophenyl)butan-1-one is O=C(CCCCl)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-1-(4-fluorophenyl)butan-1-one?
The InChIKey is HXAOUYGZEOZTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2.
What are the key properties of 4-chloro-1-(4-fluorophenyl)butan-1-one?
4-chloro-1-(4-fluorophenyl)butan-1-one has a molecular weight of 200.64 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 19750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).