methyl 9-(difluoromethyl)fluorene-9-carboxylate

C16H12F2O2 — CID 138967652

IUPACmethyl 9-(difluoromethyl)fluorene-9-carboxylate
SMILESCOC(=O)C1(C(F)F)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H12F2O2/c1-20-15(19)16(14(17)18)12-8-4-2-6-10(12)11-7-3-5-9-13(11)16/h2-9,14H,1H3
InChIKeyYCEKKRJYYRHQFF-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.39
Rot. Bonds2

About methyl 9-(difluoromethyl)fluorene-9-carboxylate

methyl 9-(difluoromethyl)fluorene-9-carboxylate (PubChem CID 138967652) has the molecular formula C16H12F2O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is methyl 9-(difluoromethyl)fluorene-9-carboxylate.

Molecular Properties

Compound Namemethyl 9-(difluoromethyl)fluorene-9-carboxylate
PubChem CID138967652
Molecular FormulaC16H12F2O2
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Namemethyl 9-(difluoromethyl)fluorene-9-carboxylate
SMILESCOC(=O)C1(C(F)F)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H12F2O2/c1-20-15(19)16(14(17)18)12-8-4-2-6-10(12)11-7-3-5-9-13(11)16/h2-9,14H,1H3
InChIKeyYCEKKRJYYRHQFF-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(difluoromethyl)fluorene-9-carboxylate?
The IUPAC name of methyl 9-(difluoromethyl)fluorene-9-carboxylate (CID 138967652) is methyl 9-(difluoromethyl)fluorene-9-carboxylate.
What is the SMILES notation for methyl 9-(difluoromethyl)fluorene-9-carboxylate?
The canonical SMILES for methyl 9-(difluoromethyl)fluorene-9-carboxylate is COC(=O)C1(C(F)F)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl 9-(difluoromethyl)fluorene-9-carboxylate?
The InChIKey is YCEKKRJYYRHQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O2/c1-20-15(19)16(14(17)18)12-8-4-2-6-10(12)11-7-3-5-9-13(11)16/h2-9,14H,1H3.
What are the key properties of methyl 9-(difluoromethyl)fluorene-9-carboxylate?
methyl 9-(difluoromethyl)fluorene-9-carboxylate has a molecular weight of 274.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(difluoromethyl)fluorene-9-carboxylate is sourced from PubChem (CID 138967652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).