9H-fluoren-3-yl 2,2,2-trifluoroacetate

C15H9F3O2 — CID 91740544

IUPAC9H-fluoren-3-yl 2,2,2-trifluoroacetate
SMILESO=C(Oc1ccc2c(c1)-c1ccccc1C2)C(F)(F)F
InChIInChI=1S/C15H9F3O2/c16-15(17,18)14(19)20-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7H2
InChIKeyYLDVQLYCCMIBIS-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.73
Rot. Bonds1

About 9H-fluoren-3-yl 2,2,2-trifluoroacetate

9H-fluoren-3-yl 2,2,2-trifluoroacetate (PubChem CID 91740544) has the molecular formula C15H9F3O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 9H-fluoren-3-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name9H-fluoren-3-yl 2,2,2-trifluoroacetate
PubChem CID91740544
Molecular FormulaC15H9F3O2
Molecular Weight278.23 g/mol
Exact Mass278.06
IUPAC Name9H-fluoren-3-yl 2,2,2-trifluoroacetate
SMILESO=C(Oc1ccc2c(c1)-c1ccccc1C2)C(F)(F)F
InChIInChI=1S/C15H9F3O2/c16-15(17,18)14(19)20-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7H2
InChIKeyYLDVQLYCCMIBIS-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 9H-fluoren-3-yl 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-3-yl trifluoromethanesulfonate
CID 155935169
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
9H-fluorene;oxophosphane
CID 174601741
2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate
CID 59330966
[4-benzoyl-3-(2,2,2-trifluoroacetyl)oxyphenyl] 2,2,2-trifluoroacetate
CID 91703647
1,2-dihydroacenaphthylen-4-yl 2,2,2-trifluoroacetate
CID 126575550
(3,4-dimethoxyphenyl) 2,2,2-trifluoroacetate
CID 70293212
[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroacetate
CID 118593314
11H-benzo[b]fluoren-7-ol
CID 123521714
9H-fluorene;methyl acetate
CID 143080534
9H-fluorene;oxozirconium
CID 174355249
acetic acid;azane;9H-fluorene
CID 174966259

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-3-yl 2,2,2-trifluoroacetate?
The IUPAC name of 9H-fluoren-3-yl 2,2,2-trifluoroacetate (CID 91740544) is 9H-fluoren-3-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for 9H-fluoren-3-yl 2,2,2-trifluoroacetate?
The canonical SMILES for 9H-fluoren-3-yl 2,2,2-trifluoroacetate is O=C(Oc1ccc2c(c1)-c1ccccc1C2)C(F)(F)F.
What is the InChIKey of 9H-fluoren-3-yl 2,2,2-trifluoroacetate?
The InChIKey is YLDVQLYCCMIBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O2/c16-15(17,18)14(19)20-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7H2.
What are the key properties of 9H-fluoren-3-yl 2,2,2-trifluoroacetate?
9H-fluoren-3-yl 2,2,2-trifluoroacetate has a molecular weight of 278.23 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-3-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91740544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).