3-fluoro-9,9-bis(methoxymethyl)fluorene

C17H17FO2 — CID 141427411

IUPAC3-fluoro-9,9-bis(methoxymethyl)fluorene
SMILESCOCC1(COC)c2ccccc2-c2cc(F)ccc21
InChIInChI=1S/C17H17FO2/c1-19-10-17(11-20-2)15-6-4-3-5-13(15)14-9-12(18)7-8-16(14)17/h3-9H,10-11H2,1-2H3
InChIKeyJYIZJPXUXGLQDJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.38
Rot. Bonds4

About 3-fluoro-9,9-bis(methoxymethyl)fluorene

3-fluoro-9,9-bis(methoxymethyl)fluorene (PubChem CID 141427411) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-fluoro-9,9-bis(methoxymethyl)fluorene.

Molecular Properties

Compound Name3-fluoro-9,9-bis(methoxymethyl)fluorene
PubChem CID141427411
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name3-fluoro-9,9-bis(methoxymethyl)fluorene
SMILESCOCC1(COC)c2ccccc2-c2cc(F)ccc21
InChIInChI=1S/C17H17FO2/c1-19-10-17(11-20-2)15-6-4-3-5-13(15)14-9-12(18)7-8-16(14)17/h3-9H,10-11H2,1-2H3
InChIKeyJYIZJPXUXGLQDJ-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-9,9-bis(methoxymethyl)fluorene?
The IUPAC name of 3-fluoro-9,9-bis(methoxymethyl)fluorene (CID 141427411) is 3-fluoro-9,9-bis(methoxymethyl)fluorene.
What is the SMILES notation for 3-fluoro-9,9-bis(methoxymethyl)fluorene?
The canonical SMILES for 3-fluoro-9,9-bis(methoxymethyl)fluorene is COCC1(COC)c2ccccc2-c2cc(F)ccc21.
What is the InChIKey of 3-fluoro-9,9-bis(methoxymethyl)fluorene?
The InChIKey is JYIZJPXUXGLQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-19-10-17(11-20-2)15-6-4-3-5-13(15)14-9-12(18)7-8-16(14)17/h3-9H,10-11H2,1-2H3.
What are the key properties of 3-fluoro-9,9-bis(methoxymethyl)fluorene?
3-fluoro-9,9-bis(methoxymethyl)fluorene has a molecular weight of 272.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-9,9-bis(methoxymethyl)fluorene is sourced from PubChem (CID 141427411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).