9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate

C21H14ClFO2 — CID 7718279

IUPAC9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(Cc1c(F)cccc1Cl)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14ClFO2/c22-18-10-5-11-19(23)17(18)12-20(24)25-21-15-8-3-1-6-13(15)14-7-2-4-9-16(14)21/h1-11,21H,12H2
InChIKeyIRQMRNBUKFDJTM-UHFFFAOYSA-N
MW352.79 g/mol
LogP5.33
Rot. Bonds3

About 9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate

9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 7718279) has the molecular formula C21H14ClFO2 and a molecular weight of 352.79 g/mol. Its IUPAC name is 9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID7718279
Molecular FormulaC21H14ClFO2
Molecular Weight352.79 g/mol
Exact Mass352.07
IUPAC Name9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(Cc1c(F)cccc1Cl)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14ClFO2/c22-18-10-5-11-19(23)17(18)12-20(24)25-21-15-8-3-1-6-13(15)14-7-2-4-9-16(14)21/h1-11,21H,12H2
InChIKeyIRQMRNBUKFDJTM-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.79
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chlorobenzyl 9-hydroxy-9H-fluorene-9-carboxylate
CID 1305490
(R,E)-5-(2-chloro-6-fluorophenyl)-1-phenylpent-1-en-3-yl benzoate
CID 165413308
2,3-dihydro-1H-inden-2-yl (2S,3S)-3-(4-chlorophenyl)-2-fluoro-4-phenylbutanoate
CID 176438809
2-Chloro-6-fluorobenzyl 2-benzoylbenzoate
CID 1294400
ethyl (1S,1aR,6aR)-4-[[3-(2,6-dichlorophenyl)-6-fluoro-2-methylphenyl]methoxy]-1,1a,1b,2,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate
CID 70863243
Benzyl 3-(2-chloro-6-fluorophenyl)propanoate
CID 174262694
2,3-dihydro-1H-inden-1-yl 4-chlorobenzoate
CID 179009955
(2-Chloro-6-fluorophenyl)methyl 2-phenylacetate
CID 954273
2-Chloro-6-fluorobenzyl 9-oxo-9H-fluorene-3-carboxylate
CID 1293735
2-Chloro-6-fluorobenzyl diphenylacetate
CID 2204483
(2-Chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate
CID 2363959
(2-Chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2371922

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of 9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate (CID 7718279) is 9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for 9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for 9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate is O=C(Cc1c(F)cccc1Cl)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is IRQMRNBUKFDJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFO2/c22-18-10-5-11-19(23)17(18)12-20(24)25-21-15-8-3-1-6-13(15)14-7-2-4-9-16(14)21/h1-11,21H,12H2.
What are the key properties of 9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate?
9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 352.79 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 7718279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).