2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene

C13H12F4O2 — CID 22140493

IUPAC2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene
SMILESCOCC1(COC)C(F)=C(F)c2ccc(F)c(F)c21
InChIInChI=1S/C13H12F4O2/c1-18-5-13(6-19-2)9-7(10(15)12(13)17)3-4-8(14)11(9)16/h3-4H,5-6H2,1-2H3
InChIKeyOONQZFJQVHEJFR-UHFFFAOYSA-N
MW276.23 g/mol
LogP3.12
Rot. Bonds4

About 2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene

2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene (PubChem CID 22140493) has the molecular formula C13H12F4O2 and a molecular weight of 276.23 g/mol. Its IUPAC name is 2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene.

Molecular Properties

Compound Name2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene
PubChem CID22140493
Molecular FormulaC13H12F4O2
Molecular Weight276.23 g/mol
Exact Mass276.08
IUPAC Name2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene
SMILESCOCC1(COC)C(F)=C(F)c2ccc(F)c(F)c21
InChIInChI=1S/C13H12F4O2/c1-18-5-13(6-19-2)9-7(10(15)12(13)17)3-4-8(14)11(9)16/h3-4H,5-6H2,1-2H3
InChIKeyOONQZFJQVHEJFR-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene?
The IUPAC name of 2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene (CID 22140493) is 2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene.
What is the SMILES notation for 2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene?
The canonical SMILES for 2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene is COCC1(COC)C(F)=C(F)c2ccc(F)c(F)c21.
What is the InChIKey of 2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene?
The InChIKey is OONQZFJQVHEJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4O2/c1-18-5-13(6-19-2)9-7(10(15)12(13)17)3-4-8(14)11(9)16/h3-4H,5-6H2,1-2H3.
What are the key properties of 2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene?
2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene has a molecular weight of 276.23 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrafluoro-1,1-bis(methoxymethyl)indene is sourced from PubChem (CID 22140493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).