1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene

C14H12F2O — CID 10243100

IUPAC1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene
SMILESFc1ccc(COCc2ccc(F)cc2)cc1
InChIInChI=1S/C14H12F2O/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChIKeyXBXLZNNMEKOYPT-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.68
Rot. Bonds4

About 1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene

1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene (PubChem CID 10243100) has the molecular formula C14H12F2O and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene
PubChem CID10243100
Molecular FormulaC14H12F2O
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene
SMILESFc1ccc(COCc2ccc(F)cc2)cc1
InChIInChI=1S/C14H12F2O/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChIKeyXBXLZNNMEKOYPT-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene?
The IUPAC name of 1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene (CID 10243100) is 1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene?
The canonical SMILES for 1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene is Fc1ccc(COCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene?
The InChIKey is XBXLZNNMEKOYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2.
What are the key properties of 1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene?
1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene has a molecular weight of 234.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(4-fluorophenyl)methoxymethyl]benzene is sourced from PubChem (CID 10243100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).