1,8-difluoro-9-(methoxymethyl)-9H-fluorene

C15H12F2O — CID 68801100

IUPAC1,8-difluoro-9-(methoxymethyl)-9H-fluorene
SMILESCOCC1c2c(F)cccc2-c2cccc(F)c21
InChIInChI=1S/C15H12F2O/c1-18-8-11-14-9(4-2-6-12(14)16)10-5-3-7-13(17)15(10)11/h2-7,11H,8H2,1H3
InChIKeyMPMQXFYPINBAHL-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.72
Rot. Bonds2

About 1,8-difluoro-9-(methoxymethyl)-9H-fluorene

1,8-difluoro-9-(methoxymethyl)-9H-fluorene (PubChem CID 68801100) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 1,8-difluoro-9-(methoxymethyl)-9H-fluorene.

Molecular Properties

Compound Name1,8-difluoro-9-(methoxymethyl)-9H-fluorene
PubChem CID68801100
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1,8-difluoro-9-(methoxymethyl)-9H-fluorene
SMILESCOCC1c2c(F)cccc2-c2cccc(F)c21
InChIInChI=1S/C15H12F2O/c1-18-8-11-14-9(4-2-6-12(14)16)10-5-3-7-13(17)15(10)11/h2-7,11H,8H2,1H3
InChIKeyMPMQXFYPINBAHL-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,8-difluoro-9-(methoxymethyl)-9H-fluorene?
The IUPAC name of 1,8-difluoro-9-(methoxymethyl)-9H-fluorene (CID 68801100) is 1,8-difluoro-9-(methoxymethyl)-9H-fluorene.
What is the SMILES notation for 1,8-difluoro-9-(methoxymethyl)-9H-fluorene?
The canonical SMILES for 1,8-difluoro-9-(methoxymethyl)-9H-fluorene is COCC1c2c(F)cccc2-c2cccc(F)c21.
What is the InChIKey of 1,8-difluoro-9-(methoxymethyl)-9H-fluorene?
The InChIKey is MPMQXFYPINBAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-18-8-11-14-9(4-2-6-12(14)16)10-5-3-7-13(17)15(10)11/h2-7,11H,8H2,1H3.
What are the key properties of 1,8-difluoro-9-(methoxymethyl)-9H-fluorene?
1,8-difluoro-9-(methoxymethyl)-9H-fluorene has a molecular weight of 246.26 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-difluoro-9-(methoxymethyl)-9H-fluorene is sourced from PubChem (CID 68801100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).