methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate

C16H10ClF3O3 — CID 59492784

IUPACmethyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H10ClF3O3/c1-23-14(21)10-6-8(17)7-12-13(10)9-4-2-3-5-11(9)15(12,22)16(18,19)20/h2-7,22H,1H3
InChIKeyJCEKEIDOLNOUNU-UHFFFAOYSA-N
MW342.70 g/mol
LogP3.91
Rot. Bonds1

About methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate

methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate (PubChem CID 59492784) has the molecular formula C16H10ClF3O3 and a molecular weight of 342.70 g/mol. Its IUPAC name is methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
PubChem CID59492784
Molecular FormulaC16H10ClF3O3
Molecular Weight342.70 g/mol
Exact Mass342.03
IUPAC Namemethyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H10ClF3O3/c1-23-14(21)10-6-8(17)7-12-13(10)9-4-2-3-5-11(9)15(12,22)16(18,19)20/h2-7,22H,1H3
InChIKeyJCEKEIDOLNOUNU-UHFFFAOYSA-N
XLogP3.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.70
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-9H-fluorene-1-carboxylic acid
CID 261781
Methyl 9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxylate
CID 59492499
Methyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
CID 59492599
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-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59492772
2-Chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59492786
4-chloro-9-hydroxy-9-trifluoromethyl-9H-fluorene-2-carboxylic acid methyl ester
CID 59492949
Ethyl 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate
CID 59493005
Methyl 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate
CID 59493084
Propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
CID 59493165
Dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate
CID 59493193

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The IUPAC name of methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate (CID 59492784) is methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The canonical SMILES for methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate is COC(=O)c1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The InChIKey is JCEKEIDOLNOUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3O3/c1-23-14(21)10-6-8(17)7-12-13(10)9-4-2-3-5-11(9)15(12,22)16(18,19)20/h2-7,22H,1H3.
What are the key properties of methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate has a molecular weight of 342.70 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate is sourced from PubChem (CID 59492784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).