methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate

C16H11F3O3 — CID 59492599

IUPACmethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
SMILESCOC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H11F3O3/c1-22-14(20)10-6-4-8-12-13(10)9-5-2-3-7-11(9)15(12,21)16(17,18)19/h2-8,21H,1H3
InChIKeySTXAPIKTOCNBKD-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.25
Rot. Bonds1

About methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate

methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate (PubChem CID 59492599) has the molecular formula C16H11F3O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate.

Molecular Properties

Compound Namemethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
PubChem CID59492599
Molecular FormulaC16H11F3O3
Molecular Weight308.26 g/mol
Exact Mass308.07
IUPAC Namemethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
SMILESCOC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H11F3O3/c1-22-14(20)10-6-4-8-12-13(10)9-5-2-3-7-11(9)15(12,21)16(17,18)19/h2-8,21H,1H3
InChIKeySTXAPIKTOCNBKD-UHFFFAOYSA-N
XLogP3.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxylate
CID 59492499
1-[9-Hydroxy-9-(trifluoromethyl)fluoren-4-yl]ethanone
CID 59492519
Methyl 4-bromo-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxylate
CID 59492555
Methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate
CID 59492577
methyl 9-hydroxy-4-methyl-9-trifluoromethyl-9H-fluorene-2-carboxylate
CID 59492634
Methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
CID 59492694
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59492705
Methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
CID 59492784
4-chloro-9-hydroxy-9-trifluoromethyl-9H-fluorene-2-carboxylic acid methyl ester
CID 59492949
Ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate
CID 59493079
3-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59493131
Propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
CID 59493165

Frequently Asked Questions

What is the IUPAC name of methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The IUPAC name of methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate (CID 59492599) is methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate.
What is the SMILES notation for methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The canonical SMILES for methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate is COC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The InChIKey is STXAPIKTOCNBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O3/c1-22-14(20)10-6-4-8-12-13(10)9-5-2-3-7-11(9)15(12,21)16(17,18)19/h2-8,21H,1H3.
What are the key properties of methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate has a molecular weight of 308.26 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate is sourced from PubChem (CID 59492599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).