methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate

C16H11F3O2 — CID 139254057

IUPACmethyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate
SMILESCOC(=O)C1c2ccccc2-c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H11F3O2/c1-21-15(20)14-12-5-3-2-4-10(12)11-7-6-9(8-13(11)14)16(17,18)19/h2-8,14H,1H3
InChIKeyVDFJTXLWLORCLH-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.99
Rot. Bonds1

About methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate

methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate (PubChem CID 139254057) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate.

Molecular Properties

Compound Namemethyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate
PubChem CID139254057
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Namemethyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate
SMILESCOC(=O)C1c2ccccc2-c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H11F3O2/c1-21-15(20)14-12-5-3-2-4-10(12)11-7-6-9(8-13(11)14)16(17,18)19/h2-8,14H,1H3
InChIKeyVDFJTXLWLORCLH-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate?
The IUPAC name of methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate (CID 139254057) is methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate.
What is the SMILES notation for methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate?
The canonical SMILES for methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate is COC(=O)C1c2ccccc2-c2ccc(C(F)(F)F)cc21.
What is the InChIKey of methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate?
The InChIKey is VDFJTXLWLORCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c1-21-15(20)14-12-5-3-2-4-10(12)11-7-6-9(8-13(11)14)16(17,18)19/h2-8,14H,1H3.
What are the key properties of methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate?
methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate has a molecular weight of 292.26 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate is sourced from PubChem (CID 139254057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).