7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene

C18H13F5O — CID 76629926

IUPAC7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene
SMILESCC=Cc1cc2c(c(F)c1F)C(F)(F)c1c-2ccc(OCC)c1F
InChIInChI=1S/C18H13F5O/c1-3-5-9-8-11-10-6-7-12(24-4-2)16(20)13(10)18(22,23)14(11)17(21)15(9)19/h3,5-8H,4H2,1-2H3
InChIKeyMLOYRHRDATVAQF-UHFFFAOYSA-N
MW340.29 g/mol
LogP5.66
Rot. Bonds3

About 7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene

7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene (PubChem CID 76629926) has the molecular formula C18H13F5O and a molecular weight of 340.29 g/mol. Its IUPAC name is 7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene.

Molecular Properties

Compound Name7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene
PubChem CID76629926
Molecular FormulaC18H13F5O
Molecular Weight340.29 g/mol
Exact Mass340.09
IUPAC Name7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene
SMILESCC=Cc1cc2c(c(F)c1F)C(F)(F)c1c-2ccc(OCC)c1F
InChIInChI=1S/C18H13F5O/c1-3-5-9-8-11-10-6-7-12(24-4-2)16(20)13(10)18(22,23)14(11)17(21)15(9)19/h3,5-8H,4H2,1-2H3
InChIKeyMLOYRHRDATVAQF-UHFFFAOYSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.29
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene?
The IUPAC name of 7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene (CID 76629926) is 7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene.
What is the SMILES notation for 7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene?
The canonical SMILES for 7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene is CC=Cc1cc2c(c(F)c1F)C(F)(F)c1c-2ccc(OCC)c1F.
What is the InChIKey of 7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene?
The InChIKey is MLOYRHRDATVAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5O/c1-3-5-9-8-11-10-6-7-12(24-4-2)16(20)13(10)18(22,23)14(11)17(21)15(9)19/h3,5-8H,4H2,1-2H3.
What are the key properties of 7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene?
7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene has a molecular weight of 340.29 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1,2,8,9,9-pentafluoro-3-prop-1-enylfluorene is sourced from PubChem (CID 76629926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).