1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene

C12H10F6O — CID 20771629

IUPAC1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene
SMILESC=Cc1ccc(C(OC)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C12H10F6O/c1-3-8-4-6-9(7-5-8)10(19-2,11(13,14)15)12(16,17)18/h3-7H,1H2,2H3
InChIKeyBCTLJDWGJNUPPU-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.30
Rot. Bonds3

About 1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene

1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene (PubChem CID 20771629) has the molecular formula C12H10F6O and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene
PubChem CID20771629
Molecular FormulaC12H10F6O
Molecular Weight284.20 g/mol
Exact Mass284.06
IUPAC Name1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene
SMILESC=Cc1ccc(C(OC)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C12H10F6O/c1-3-8-4-6-9(7-5-8)10(19-2,11(13,14)15)12(16,17)18/h3-7H,1H2,2H3
InChIKeyBCTLJDWGJNUPPU-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene?
The IUPAC name of 1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene (CID 20771629) is 1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene.
What is the SMILES notation for 1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene?
The canonical SMILES for 1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene is C=Cc1ccc(C(OC)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene?
The InChIKey is BCTLJDWGJNUPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6O/c1-3-8-4-6-9(7-5-8)10(19-2,11(13,14)15)12(16,17)18/h3-7H,1H2,2H3.
What are the key properties of 1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene?
1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene has a molecular weight of 284.20 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene is sourced from PubChem (CID 20771629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).