1-(chloromethyl)-2-fluoro-3-phenoxybenzene

C13H10ClFO — CID 141096763

IUPAC1-(chloromethyl)-2-fluoro-3-phenoxybenzene
SMILESFc1c(CCl)cccc1Oc1ccccc1
InChIInChI=1S/C13H10ClFO/c14-9-10-5-4-8-12(13(10)15)16-11-6-2-1-3-7-11/h1-8H,9H2
InChIKeyXNXYPMGPJXBKPW-UHFFFAOYSA-N
MW236.67 g/mol
LogP4.36
Rot. Bonds3

About 1-(chloromethyl)-2-fluoro-3-phenoxybenzene

1-(chloromethyl)-2-fluoro-3-phenoxybenzene (PubChem CID 141096763) has the molecular formula C13H10ClFO and a molecular weight of 236.67 g/mol. Its IUPAC name is 1-(chloromethyl)-2-fluoro-3-phenoxybenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-fluoro-3-phenoxybenzene
PubChem CID141096763
Molecular FormulaC13H10ClFO
Molecular Weight236.67 g/mol
Exact Mass236.04
IUPAC Name1-(chloromethyl)-2-fluoro-3-phenoxybenzene
SMILESFc1c(CCl)cccc1Oc1ccccc1
InChIInChI=1S/C13H10ClFO/c14-9-10-5-4-8-12(13(10)15)16-11-6-2-1-3-7-11/h1-8H,9H2
InChIKeyXNXYPMGPJXBKPW-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 54.36
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-(chloromethyl)-2-fluoro-3-phenoxybenzene?
The IUPAC name of 1-(chloromethyl)-2-fluoro-3-phenoxybenzene (CID 141096763) is 1-(chloromethyl)-2-fluoro-3-phenoxybenzene.
What is the SMILES notation for 1-(chloromethyl)-2-fluoro-3-phenoxybenzene?
The canonical SMILES for 1-(chloromethyl)-2-fluoro-3-phenoxybenzene is Fc1c(CCl)cccc1Oc1ccccc1.
What is the InChIKey of 1-(chloromethyl)-2-fluoro-3-phenoxybenzene?
The InChIKey is XNXYPMGPJXBKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO/c14-9-10-5-4-8-12(13(10)15)16-11-6-2-1-3-7-11/h1-8H,9H2.
What are the key properties of 1-(chloromethyl)-2-fluoro-3-phenoxybenzene?
1-(chloromethyl)-2-fluoro-3-phenoxybenzene has a molecular weight of 236.67 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-fluoro-3-phenoxybenzene is sourced from PubChem (CID 141096763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).