[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate

C22H14ClFO3 — CID 7825922

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Cl)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C22H14ClFO3/c23-20-11-16(24)7-8-18(20)22(26)27-12-21(25)15-6-5-14-9-13-3-1-2-4-17(13)19(14)10-15/h1-8,10-11H,9,12H2
InChIKeyVXAYTAJVIZMHEJ-UHFFFAOYSA-N
MW380.80 g/mol
LogP5.09
Rot. Bonds4

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate (PubChem CID 7825922) has the molecular formula C22H14ClFO3 and a molecular weight of 380.80 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
PubChem CID7825922
Molecular FormulaC22H14ClFO3
Molecular Weight380.80 g/mol
Exact Mass380.06
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Cl)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C22H14ClFO3/c23-20-11-16(24)7-8-18(20)22(26)27-12-21(25)15-6-5-14-9-13-3-1-2-4-17(13)19(14)10-15/h1-8,10-11H,9,12H2
InChIKeyVXAYTAJVIZMHEJ-UHFFFAOYSA-N
XLogP5.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.80
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859801
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523919
2-(2-chlorophenoxy)-1-(9H-fluoren-3-yl)ethanone
CID 2121351
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233811
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate
CID 29183065
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2462527
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489133
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527565

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate (CID 7825922) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1Cl)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The InChIKey is VXAYTAJVIZMHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFO3/c23-20-11-16(24)7-8-18(20)22(26)27-12-21(25)15-6-5-14-9-13-3-1-2-4-17(13)19(14)10-15/h1-8,10-11H,9,12H2.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate has a molecular weight of 380.80 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate is sourced from PubChem (CID 7825922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).