[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate

C22H22F2O4 — CID 59172643

IUPAC[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate
SMILESO=C(OCC1CCC(COC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H22F2O4/c23-19-9-5-17(6-10-19)21(25)27-13-15-1-2-16(4-3-15)14-28-22(26)18-7-11-20(24)12-8-18/h5-12,15-16H,1-4,13-14H2
InChIKeyCQUNWNIZRBYOJQ-UHFFFAOYSA-N
MW388.41 g/mol
LogP4.78
Rot. Bonds6

About [4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate

[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate (PubChem CID 59172643) has the molecular formula C22H22F2O4 and a molecular weight of 388.41 g/mol. Its IUPAC name is [4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate.

Molecular Properties

Compound Name[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate
PubChem CID59172643
Molecular FormulaC22H22F2O4
Molecular Weight388.41 g/mol
Exact Mass388.15
IUPAC Name[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate
SMILESO=C(OCC1CCC(COC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H22F2O4/c23-19-9-5-17(6-10-19)21(25)27-13-15-1-2-16(4-3-15)14-28-22(26)18-7-11-20(24)12-8-18/h5-12,15-16H,1-4,13-14H2
InChIKeyCQUNWNIZRBYOJQ-UHFFFAOYSA-N
XLogP4.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate with MolForge

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Related Compounds

1-O-(cyclopropylmethyl) 4-O-(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate
CID 165037317
cyclopropylmethyl 3-amino-4-fluorobenzoate
CID 61150324
[4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate
CID 59950478
[4-(methoxymethyl)cyclohexyl]methyl 4-(2-methylpropanoyl)benzoate
CID 144946673
[4-(naphthalene-2-carbonyloxymethyl)cyclohexyl]methyl naphthalene-2-carboxylate
CID 59172646
bis[[4-(hydroxymethyl)cyclohexyl]methyl] naphthalene-2,6-dicarboxylate
CID 54489538
cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate
CID 159138590
[4-(hydroxymethyl)cyclohexyl]methyl 4-(2,2-dimethylpropanoyl)benzoate
CID 170233398
4-O-[2-[4-[(4-ethylcyclohexyl)methoxycarbonyl]benzoyl]oxyethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 54349547
cyclopropyl 4-fluorobenzoate
CID 126986458
[(2R,3R,4S,5R,6R)-6-bromo-3,4,5-tris[(4-fluorobenzoyl)oxy]oxan-2-yl]methyl 4-fluorobenzoate
CID 10509155
cyclopropylmethyl 4-(prop-2-enoylamino)benzoate
CID 166403261

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate?
The IUPAC name of [4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate (CID 59172643) is [4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate.
What is the SMILES notation for [4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate?
The canonical SMILES for [4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate is O=C(OCC1CCC(COC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate?
The InChIKey is CQUNWNIZRBYOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2O4/c23-19-9-5-17(6-10-19)21(25)27-13-15-1-2-16(4-3-15)14-28-22(26)18-7-11-20(24)12-8-18/h5-12,15-16H,1-4,13-14H2.
What are the key properties of [4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate?
[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate has a molecular weight of 388.41 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate is sourced from PubChem (CID 59172643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).