methyl (9R)-2-chloro-9H-fluorene-9-carboxylate

C15H11ClO2 — CID 76968611

IUPACmethyl (9R)-2-chloro-9H-fluorene-9-carboxylate
SMILESCOC(=O)[C@@H]1c2ccccc2-c2ccc(Cl)cc21
InChIInChI=1S/C15H11ClO2/c1-18-15(17)14-12-5-3-2-4-10(12)11-7-6-9(16)8-13(11)14/h2-8,14H,1H3/t14-/m1/s1
InChIKeyDFYPVJHFCVSDEV-CQSZACIVSA-N
MW258.70 g/mol
LogP3.63
Rot. Bonds1

About methyl (9R)-2-chloro-9H-fluorene-9-carboxylate

methyl (9R)-2-chloro-9H-fluorene-9-carboxylate (PubChem CID 76968611) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is methyl (9R)-2-chloro-9H-fluorene-9-carboxylate.

Molecular Properties

Compound Namemethyl (9R)-2-chloro-9H-fluorene-9-carboxylate
PubChem CID76968611
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Namemethyl (9R)-2-chloro-9H-fluorene-9-carboxylate
SMILESCOC(=O)[C@@H]1c2ccccc2-c2ccc(Cl)cc21
InChIInChI=1S/C15H11ClO2/c1-18-15(17)14-12-5-3-2-4-10(12)11-7-6-9(16)8-13(11)14/h2-8,14H,1H3/t14-/m1/s1
InChIKeyDFYPVJHFCVSDEV-CQSZACIVSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl (9R)-2-chloro-9H-fluorene-9-carboxylate?
The IUPAC name of methyl (9R)-2-chloro-9H-fluorene-9-carboxylate (CID 76968611) is methyl (9R)-2-chloro-9H-fluorene-9-carboxylate.
What is the SMILES notation for methyl (9R)-2-chloro-9H-fluorene-9-carboxylate?
The canonical SMILES for methyl (9R)-2-chloro-9H-fluorene-9-carboxylate is COC(=O)[C@@H]1c2ccccc2-c2ccc(Cl)cc21.
What is the InChIKey of methyl (9R)-2-chloro-9H-fluorene-9-carboxylate?
The InChIKey is DFYPVJHFCVSDEV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H11ClO2/c1-18-15(17)14-12-5-3-2-4-10(12)11-7-6-9(16)8-13(11)14/h2-8,14H,1H3/t14-/m1/s1.
What are the key properties of methyl (9R)-2-chloro-9H-fluorene-9-carboxylate?
methyl (9R)-2-chloro-9H-fluorene-9-carboxylate has a molecular weight of 258.70 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (9R)-2-chloro-9H-fluorene-9-carboxylate is sourced from PubChem (CID 76968611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).