9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate

C16H11F3O2 — CID 54397890

IUPAC9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C16H11F3O2/c17-16(18,19)15(20)21-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2
InChIKeyVLIAHQXPCPCYQU-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.90
Rot. Bonds2

About 9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate

9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate (PubChem CID 54397890) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate
PubChem CID54397890
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C16H11F3O2/c17-16(18,19)15(20)21-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2
InChIKeyVLIAHQXPCPCYQU-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate (CID 54397890) is 9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate is O=C(OCC1c2ccccc2-c2ccccc21)C(F)(F)F.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate?
The InChIKey is VLIAHQXPCPCYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c17-16(18,19)15(20)21-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2.
What are the key properties of 9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate?
9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate has a molecular weight of 292.26 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 54397890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).