methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate

C16H11F3O3 — CID 59492606

IUPACmethyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H11F3O3/c1-22-14(20)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15(13,21)16(17,18)19/h2-8,21H,1H3
InChIKeyRXDXKRYLKGSXLR-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.25
Rot. Bonds1

About methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate

methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate (PubChem CID 59492606) has the molecular formula C16H11F3O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate
PubChem CID59492606
Molecular FormulaC16H11F3O3
Molecular Weight308.26 g/mol
Exact Mass308.07
IUPAC Namemethyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H11F3O3/c1-22-14(20)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15(13,21)16(17,18)19/h2-8,21H,1H3
InChIKeyRXDXKRYLKGSXLR-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

dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate
CID 634796
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436
[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(1-methoxyethenyl)azetidin-1-yl]methanone
CID 143972557
methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
CID 59492694
methyl 3-phenyl-4-(trifluoromethyl)benzoate
CID 11044155
methyl 7,9,9-trifluorofluorene-3-carboxylate
CID 170296669
1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one
CID 149259882
methyl 3-chloro-4-[2-(trifluoromethyl)phenyl]benzoate
CID 66718347
azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
methyl 7-methyl-8-[2-(trifluoromethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
CID 118525838
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59493131
methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate
CID 23151716

Frequently Asked Questions

What is the IUPAC name of methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate?
The IUPAC name of methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate (CID 59492606) is methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate.
What is the SMILES notation for methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate?
The canonical SMILES for methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate is COC(=O)c1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate?
The InChIKey is RXDXKRYLKGSXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O3/c1-22-14(20)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15(13,21)16(17,18)19/h2-8,21H,1H3.
What are the key properties of methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate?
methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-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-3-carboxylate is sourced from PubChem (CID 59492606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).