10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one

C11H15FO4 — CID 70898641

IUPAC10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
SMILESCC(CF)C1CC2C(O1)OC1CC(=O)OC12
InChIInChI=1S/C11H15FO4/c1-5(4-12)7-2-6-10-8(3-9(13)16-10)15-11(6)14-7/h5-8,10-11H,2-4H2,1H3
InChIKeyQLSPWUKCBDLQLJ-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.04
Rot. Bonds2

About 10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one

10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one (PubChem CID 70898641) has the molecular formula C11H15FO4 and a molecular weight of 230.23 g/mol. Its IUPAC name is 10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one.

Molecular Properties

Compound Name10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
PubChem CID70898641
Molecular FormulaC11H15FO4
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
SMILESCC(CF)C1CC2C(O1)OC1CC(=O)OC12
InChIInChI=1S/C11H15FO4/c1-5(4-12)7-2-6-10-8(3-9(13)16-10)15-11(6)14-7/h5-8,10-11H,2-4H2,1H3
InChIKeyQLSPWUKCBDLQLJ-UHFFFAOYSA-N
XLogP1.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one?
The IUPAC name of 10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one (CID 70898641) is 10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one.
What is the SMILES notation for 10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one?
The canonical SMILES for 10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one is CC(CF)C1CC2C(O1)OC1CC(=O)OC12.
What is the InChIKey of 10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one?
The InChIKey is QLSPWUKCBDLQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO4/c1-5(4-12)7-2-6-10-8(3-9(13)16-10)15-11(6)14-7/h5-8,10-11H,2-4H2,1H3.
What are the key properties of 10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one?
10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one has a molecular weight of 230.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one is sourced from PubChem (CID 70898641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).