2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane

C15H16F4O — CID 59467752

IUPAC2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane
SMILESCC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CO1
InChIInChI=1S/C15H16F4O/c1-8-2-3-10(7-20-8)11-6-9-4-5-12(16)14(17)13(9)15(11,18)19/h4-5,8,10-11H,2-3,6-7H2,1H3
InChIKeyBMCJRUXRQBFCLS-UHFFFAOYSA-N
MW288.28 g/mol
LogP4.04
Rot. Bonds1

About 2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane

2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane (PubChem CID 59467752) has the molecular formula C15H16F4O and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane.

Molecular Properties

Compound Name2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane
PubChem CID59467752
Molecular FormulaC15H16F4O
Molecular Weight288.28 g/mol
Exact Mass288.11
IUPAC Name2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane
SMILESCC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CO1
InChIInChI=1S/C15H16F4O/c1-8-2-3-10(7-20-8)11-6-9-4-5-12(16)14(17)13(9)15(11,18)19/h4-5,8,10-11H,2-3,6-7H2,1H3
InChIKeyBMCJRUXRQBFCLS-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane?
The IUPAC name of 2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane (CID 59467752) is 2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane.
What is the SMILES notation for 2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane?
The canonical SMILES for 2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane is CC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CO1.
What is the InChIKey of 2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane?
The InChIKey is BMCJRUXRQBFCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O/c1-8-2-3-10(7-20-8)11-6-9-4-5-12(16)14(17)13(9)15(11,18)19/h4-5,8,10-11H,2-3,6-7H2,1H3.
What are the key properties of 2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane?
2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane has a molecular weight of 288.28 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane is sourced from PubChem (CID 59467752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).