1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol

C15H24F2O2 — CID 91431007

IUPAC1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol
SMILESCCCC(F)(F)COC1=CCC(C(C)O)C(C)C=C1
InChIInChI=1S/C15H24F2O2/c1-4-9-15(16,17)10-19-13-6-5-11(2)14(8-7-13)12(3)18/h5-7,11-12,14,18H,4,8-10H2,1-3H3
InChIKeyAVBXJMMQZBHYFJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.92
Rot. Bonds6

About 1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol

1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol (PubChem CID 91431007) has the molecular formula C15H24F2O2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol
PubChem CID91431007
Molecular FormulaC15H24F2O2
Molecular Weight274.35 g/mol
Exact Mass274.17
IUPAC Name1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol
SMILESCCCC(F)(F)COC1=CCC(C(C)O)C(C)C=C1
InChIInChI=1S/C15H24F2O2/c1-4-9-15(16,17)10-19-13-6-5-11(2)14(8-7-13)12(3)18/h5-7,11-12,14,18H,4,8-10H2,1-3H3
InChIKeyAVBXJMMQZBHYFJ-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol?
The IUPAC name of 1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol (CID 91431007) is 1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol.
What is the SMILES notation for 1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol?
The canonical SMILES for 1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol is CCCC(F)(F)COC1=CCC(C(C)O)C(C)C=C1.
What is the InChIKey of 1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol?
The InChIKey is AVBXJMMQZBHYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O2/c1-4-9-15(16,17)10-19-13-6-5-11(2)14(8-7-13)12(3)18/h5-7,11-12,14,18H,4,8-10H2,1-3H3.
What are the key properties of 1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol?
1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol has a molecular weight of 274.35 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol is sourced from PubChem (CID 91431007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).