methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate

C16H10F4O3 — CID 59492694

IUPACmethyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
SMILESCOC(=O)c1cccc2c1-c1cc(F)ccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H10F4O3/c1-23-14(21)9-3-2-4-12-13(9)10-7-8(17)5-6-11(10)15(12,22)16(18,19)20/h2-7,22H,1H3
InChIKeyUNTBGFFSYWLAJX-UHFFFAOYSA-N
MW326.25 g/mol
LogP3.39
Rot. Bonds1

About methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate

methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate (PubChem CID 59492694) has the molecular formula C16H10F4O3 and a molecular weight of 326.25 g/mol. Its IUPAC name is methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
PubChem CID59492694
Molecular FormulaC16H10F4O3
Molecular Weight326.25 g/mol
Exact Mass326.06
IUPAC Namemethyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
SMILESCOC(=O)c1cccc2c1-c1cc(F)ccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H10F4O3/c1-23-14(21)9-3-2-4-12-13(9)10-7-8(17)5-6-11(10)15(12,22)16(18,19)20/h2-7,22H,1H3
InChIKeyUNTBGFFSYWLAJX-UHFFFAOYSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
CID 59493198
methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate
CID 59492606
methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate
CID 119013650
methyl 2-(2,3-dichlorophenyl)-4-fluorobenzoate
CID 134617679
methyl 2-[3-(trifluoromethyl)diaziridin-3-yl]benzoate
CID 133062073
methyl 3-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635680
methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
CID 134635148
methyl 2-amino-3-(2,5-difluorophenyl)sulfanylbenzoate
CID 115547521
methyl 5-fluoro-2-naphthalen-1-ylbenzoate
CID 141376687
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
CID 134623804
methyl 3-fluorobenzoate
CID 521184

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The IUPAC name of methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate (CID 59492694) is methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate.
What is the SMILES notation for methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The canonical SMILES for methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate is COC(=O)c1cccc2c1-c1cc(F)ccc1C2(O)C(F)(F)F.
What is the InChIKey of methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The InChIKey is UNTBGFFSYWLAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4O3/c1-23-14(21)9-3-2-4-12-13(9)10-7-8(17)5-6-11(10)15(12,22)16(18,19)20/h2-7,22H,1H3.
What are the key properties of methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate has a molecular weight of 326.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate is sourced from PubChem (CID 59492694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).