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

C17H13F3O3 — CID 59493198

IUPACethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
SMILESCCOC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C17H13F3O3/c1-2-23-15(21)11-7-5-9-13-14(11)10-6-3-4-8-12(10)16(13,22)17(18,19)20/h3-9,22H,2H2,1H3
InChIKeySHOYEHUOUHXGOH-UHFFFAOYSA-N
MW322.28 g/mol
LogP3.64
Rot. Bonds2

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

ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate (PubChem CID 59493198) has the molecular formula C17H13F3O3 and a molecular weight of 322.28 g/mol. Its IUPAC name is ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate.

Molecular Properties

Compound Nameethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
PubChem CID59493198
Molecular FormulaC17H13F3O3
Molecular Weight322.28 g/mol
Exact Mass322.08
IUPAC Nameethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
SMILESCCOC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C17H13F3O3/c1-2-23-15(21)11-7-5-9-13-14(11)10-6-3-4-8-12(10)16(13,22)17(18,19)20/h3-9,22H,2H2,1H3
InChIKeySHOYEHUOUHXGOH-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-(trifluoromethyl)diaziridin-3-yl]benzoate
CID 133061387
4-bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59493116
4,9-bis(trifluoromethyl)fluoren-9-ol
CID 59492966
ethyl 2-(1,1,2,2,2-pentafluoroethyl)benzoate
CID 53392900
ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
benzene;ethyl 9-propylidenefluorene-4-carboxylate
CID 174544790
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate
CID 59493152
ethyl 2-bromo-3-(trifluoromethyl)benzoate
CID 46311280
3-ethoxycarbonyl-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 169449761

Frequently Asked Questions

What is the IUPAC name of ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The IUPAC name of ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate (CID 59493198) is ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate.
What is the SMILES notation for ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The canonical SMILES for ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate is CCOC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The InChIKey is SHOYEHUOUHXGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O3/c1-2-23-15(21)11-7-5-9-13-14(11)10-6-3-4-8-12(10)16(13,22)17(18,19)20/h3-9,22H,2H2,1H3.
What are the key properties of ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate has a molecular weight of 322.28 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate is sourced from PubChem (CID 59493198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).