1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene

C16H15F3O — CID 178142552

IUPAC1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene
SMILESCC(C)Cc1ccc(Oc2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C16H15F3O/c1-10(2)7-11-3-5-13(6-4-11)20-16-14(18)8-12(17)9-15(16)19/h3-6,8-10H,7H2,1-2H3
InChIKeyVTHHVIJKZJVXLV-UHFFFAOYSA-N
MW280.29 g/mol
LogP5.09
Rot. Bonds4

About 1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene

1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene (PubChem CID 178142552) has the molecular formula C16H15F3O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene.

Molecular Properties

Compound Name1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene
PubChem CID178142552
Molecular FormulaC16H15F3O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene
SMILESCC(C)Cc1ccc(Oc2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C16H15F3O/c1-10(2)7-11-3-5-13(6-4-11)20-16-14(18)8-12(17)9-15(16)19/h3-6,8-10H,7H2,1-2H3
InChIKeyVTHHVIJKZJVXLV-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.29
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene?
The IUPAC name of 1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene (CID 178142552) is 1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene.
What is the SMILES notation for 1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene?
The canonical SMILES for 1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene is CC(C)Cc1ccc(Oc2c(F)cc(F)cc2F)cc1.
What is the InChIKey of 1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene?
The InChIKey is VTHHVIJKZJVXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O/c1-10(2)7-11-3-5-13(6-4-11)20-16-14(18)8-12(17)9-15(16)19/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene?
1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene has a molecular weight of 280.29 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene is sourced from PubChem (CID 178142552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).