methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate

C16H12F2O3 — CID 169197506

IUPACmethyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1ccccc1C2OC(F)F
InChIInChI=1S/C16H12F2O3/c1-20-15(19)9-6-7-12-13(8-9)10-4-2-3-5-11(10)14(12)21-16(17)18/h2-8,14,16H,1H3
InChIKeyHSBUSPLIXFZUFY-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.78
Rot. Bonds3

About methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate

methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate (PubChem CID 169197506) has the molecular formula C16H12F2O3 and a molecular weight of 290.27 g/mol. Its IUPAC name is methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate
PubChem CID169197506
Molecular FormulaC16H12F2O3
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Namemethyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1ccccc1C2OC(F)F
InChIInChI=1S/C16H12F2O3/c1-20-15(19)9-6-7-12-13(8-9)10-4-2-3-5-11(10)14(12)21-16(17)18/h2-8,14,16H,1H3
InChIKeyHSBUSPLIXFZUFY-UHFFFAOYSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate?
The IUPAC name of methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate (CID 169197506) is methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate.
What is the SMILES notation for methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate?
The canonical SMILES for methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate is COC(=O)c1ccc2c(c1)-c1ccccc1C2OC(F)F.
What is the InChIKey of methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate?
The InChIKey is HSBUSPLIXFZUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O3/c1-20-15(19)9-6-7-12-13(8-9)10-4-2-3-5-11(10)14(12)21-16(17)18/h2-8,14,16H,1H3.
What are the key properties of methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate?
methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate has a molecular weight of 290.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate is sourced from PubChem (CID 169197506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).