[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone

C14H10ClFO — CID 18779900

IUPAC[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(CCl)cc1
InChIInChI=1S/C14H10ClFO/c15-9-10-1-3-11(4-2-10)14(17)12-5-7-13(16)8-6-12/h1-8H,9H2
InChIKeyWCCIIVBGMPLXLY-UHFFFAOYSA-N
MW248.68 g/mol
LogP3.80
Rot. Bonds3

About [4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone

[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone (PubChem CID 18779900) has the molecular formula C14H10ClFO and a molecular weight of 248.68 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone
PubChem CID18779900
Molecular FormulaC14H10ClFO
Molecular Weight248.68 g/mol
Exact Mass248.04
IUPAC Name[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(CCl)cc1
InChIInChI=1S/C14H10ClFO/c15-9-10-1-3-11(4-2-10)14(17)12-5-7-13(16)8-6-12/h1-8H,9H2
InChIKeyWCCIIVBGMPLXLY-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 53.80
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-(chloromethyl)phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone (CID 18779900) is [4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc(CCl)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone?
The InChIKey is WCCIIVBGMPLXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO/c15-9-10-1-3-11(4-2-10)14(17)12-5-7-13(16)8-6-12/h1-8H,9H2.
What are the key properties of [4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone?
[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone has a molecular weight of 248.68 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 18779900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).