[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene

C18H14F6O — CID 166445544

IUPAC[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene
SMILESFC(F)(F)C(OCC=C(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H14F6O/c19-17(20,21)16(18(22,23)24)25-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16H,12H2
InChIKeyBEWMTHQACOIUFV-UHFFFAOYSA-N
MW360.30 g/mol
LogP5.63
Rot. Bonds5

About [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene

[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene (PubChem CID 166445544) has the molecular formula C18H14F6O and a molecular weight of 360.30 g/mol. Its IUPAC name is [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Name[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene
PubChem CID166445544
Molecular FormulaC18H14F6O
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC Name[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene
SMILESFC(F)(F)C(OCC=C(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H14F6O/c19-17(20,21)16(18(22,23)24)25-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16H,12H2
InChIKeyBEWMTHQACOIUFV-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.30
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene?
The IUPAC name of [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene (CID 166445544) is [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene.
What is the SMILES notation for [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene?
The canonical SMILES for [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene is FC(F)(F)C(OCC=C(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene?
The InChIKey is BEWMTHQACOIUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6O/c19-17(20,21)16(18(22,23)24)25-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16H,12H2.
What are the key properties of [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene?
[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene has a molecular weight of 360.30 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-phenylprop-1-enyl]benzene is sourced from PubChem (CID 166445544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).