2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene

C14H13F7O3S — CID 135024700

IUPAC2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene
SMILESC=Cc1cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1OC(C)C
InChIInChI=1S/C14H13F7O3S/c1-4-9-7-10(5-6-11(9)24-8(2)3)25(22,23)14(20,21)12(15,16)13(17,18)19/h4-8H,1H2,2-3H3
InChIKeyZARBEPZIKLZXPD-UHFFFAOYSA-N
MW394.31 g/mol
LogP4.68
Rot. Bonds6

About 2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene

2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene (PubChem CID 135024700) has the molecular formula C14H13F7O3S and a molecular weight of 394.31 g/mol. Its IUPAC name is 2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene
PubChem CID135024700
Molecular FormulaC14H13F7O3S
Molecular Weight394.31 g/mol
Exact Mass394.05
IUPAC Name2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene
SMILESC=Cc1cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1OC(C)C
InChIInChI=1S/C14H13F7O3S/c1-4-9-7-10(5-6-11(9)24-8(2)3)25(22,23)14(20,21)12(15,16)13(17,18)19/h4-8H,1H2,2-3H3
InChIKeyZARBEPZIKLZXPD-UHFFFAOYSA-N
XLogP4.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene?
The IUPAC name of 2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene (CID 135024700) is 2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene.
What is the SMILES notation for 2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene?
The canonical SMILES for 2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene is C=Cc1cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1OC(C)C.
What is the InChIKey of 2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene?
The InChIKey is ZARBEPZIKLZXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F7O3S/c1-4-9-7-10(5-6-11(9)24-8(2)3)25(22,23)14(20,21)12(15,16)13(17,18)19/h4-8H,1H2,2-3H3.
What are the key properties of 2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene?
2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene has a molecular weight of 394.31 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-1-propan-2-yloxybenzene is sourced from PubChem (CID 135024700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).