[2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate

C20H18F2O4 — CID 45155689

IUPAC[2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate
SMILESO=C(OC1CCCCC1OC(=O)c1ccccc1F)c1ccccc1F
InChIInChI=1S/C20H18F2O4/c21-15-9-3-1-7-13(15)19(23)25-17-11-5-6-12-18(17)26-20(24)14-8-2-4-10-16(14)22/h1-4,7-10,17-18H,5-6,11-12H2
InChIKeyFHRJEALJEXADSX-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.29
Rot. Bonds4

About [2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate

[2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate (PubChem CID 45155689) has the molecular formula C20H18F2O4 and a molecular weight of 360.36 g/mol. Its IUPAC name is [2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate
PubChem CID45155689
Molecular FormulaC20H18F2O4
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Name[2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate
SMILESO=C(OC1CCCCC1OC(=O)c1ccccc1F)c1ccccc1F
InChIInChI=1S/C20H18F2O4/c21-15-9-3-1-7-13(15)19(23)25-17-11-5-6-12-18(17)26-20(24)14-8-2-4-10-16(14)22/h1-4,7-10,17-18H,5-6,11-12H2
InChIKeyFHRJEALJEXADSX-UHFFFAOYSA-N
XLogP4.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] 2-fluorobenzoate
CID 951419
(cyclohexylamino) 2-fluorobenzoate
CID 144857629
[(1S,2S)-2-methoxycyclopentyl] 2-cyanobenzoate
CID 97309410
(2-hydroxycyclohexyl) 2-formylbenzoate
CID 86121789
bromo 2-fluorobenzoate
CID 68843510
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
(2-methylcyclohexyl) 2-(2-methylcyclohexyl)oxybenzoate
CID 57133413
2-cyclopentyloxy-1-(2-fluorophenyl)ethanone
CID 43799397
cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
CID 579414
(2-ethylcyclohexyl) 2-acetylbenzoate
CID 123724053

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate?
The IUPAC name of [2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate (CID 45155689) is [2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate.
What is the SMILES notation for [2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate?
The canonical SMILES for [2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate is O=C(OC1CCCCC1OC(=O)c1ccccc1F)c1ccccc1F.
What is the InChIKey of [2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate?
The InChIKey is FHRJEALJEXADSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2O4/c21-15-9-3-1-7-13(15)19(23)25-17-11-5-6-12-18(17)26-20(24)14-8-2-4-10-16(14)22/h1-4,7-10,17-18H,5-6,11-12H2.
What are the key properties of [2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate?
[2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate has a molecular weight of 360.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate is sourced from PubChem (CID 45155689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).