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

C16H16F2O — CID 164685180

IUPAC1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene
SMILESCCC(OC)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16F2O/c1-3-16(19-2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11H,3H2,1-2H3
InChIKeyFBXPKKGNZRXBGX-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.26
Rot. Bonds4

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

1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene (PubChem CID 164685180) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene
PubChem CID164685180
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene
SMILESCCC(OC)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16F2O/c1-3-16(19-2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11H,3H2,1-2H3
InChIKeyFBXPKKGNZRXBGX-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene?
The IUPAC name of 1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene (CID 164685180) is 1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene.
What is the SMILES notation for 1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene?
The canonical SMILES for 1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene is CCC(OC)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene?
The InChIKey is FBXPKKGNZRXBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-3-16(19-2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11H,3H2,1-2H3.
What are the key properties of 1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene?
1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene has a molecular weight of 262.30 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[1-(4-fluorophenyl)-1-methoxypropyl]benzene is sourced from PubChem (CID 164685180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).