[4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate

C24H32F2O4 — CID 18960255

IUPAC[4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate
SMILESCC(F)C(=O)OC1CCC(c2ccc(C3CCC(OC(=O)C(C)F)CC3)cc2)CC1
InChIInChI=1S/C24H32F2O4/c1-15(25)23(27)29-21-11-7-19(8-12-21)17-3-5-18(6-4-17)20-9-13-22(14-10-20)30-24(28)16(2)26/h3-6,15-16,19-22H,7-14H2,1-2H3
InChIKeyKFFOZLOHWRUADJ-UHFFFAOYSA-N
MW422.51 g/mol
LogP5.54
Rot. Bonds6

About [4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate

[4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate (PubChem CID 18960255) has the molecular formula C24H32F2O4 and a molecular weight of 422.51 g/mol. Its IUPAC name is [4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate.

Molecular Properties

Compound Name[4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate
PubChem CID18960255
Molecular FormulaC24H32F2O4
Molecular Weight422.51 g/mol
Exact Mass422.23
IUPAC Name[4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate
SMILESCC(F)C(=O)OC1CCC(c2ccc(C3CCC(OC(=O)C(C)F)CC3)cc2)CC1
InChIInChI=1S/C24H32F2O4/c1-15(25)23(27)29-21-11-7-19(8-12-21)17-3-5-18(6-4-17)20-9-13-22(14-10-20)30-24(28)16(2)26/h3-6,15-16,19-22H,7-14H2,1-2H3
InChIKeyKFFOZLOHWRUADJ-UHFFFAOYSA-N
XLogP5.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate with MolForge

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Related Compounds

(2-Acetyloxy-3,6-diphenylcyclohexyl) acetate
CID 57509407
Ethyl 3-[4-[3-[4-(3-ethoxy-3-oxopropyl)phenyl]-1,1,1,4,4,4-hexafluorobutan-2-yl]phenyl]propanoate
CID 134949375
Trichobisabolin H
CID 146683372
[(2S,4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl] acetate
CID 162985291
Orf 8511
CID 198281
4,4-Bis(4-fluorophenyl)butyl acetate
CID 17940693
[2-(Acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate
CID 15238264
[(2S)-2-cyclohexylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate
CID 17757883
[1-(2,2-Diphenylcyclopropyl)-2-methylpropyl] 2,2,2-trifluoroacetate
CID 91438237
[3-Acetyloxy-5-[4-(trifluoromethyl)phenyl]pentyl] acetate
CID 134845557
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[phenyl-[2-(trifluoromethyl)phenyl]phosphoryl]acetate
CID 135058898
((1S,2R,3S)-3-(4-(trifluoromethyl)phenyl)cyclobutane-1,2-diyl)bis(methylene)diacetate
CID 155882869

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate?
The IUPAC name of [4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate (CID 18960255) is [4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate.
What is the SMILES notation for [4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate?
The canonical SMILES for [4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate is CC(F)C(=O)OC1CCC(c2ccc(C3CCC(OC(=O)C(C)F)CC3)cc2)CC1.
What is the InChIKey of [4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate?
The InChIKey is KFFOZLOHWRUADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2O4/c1-15(25)23(27)29-21-11-7-19(8-12-21)17-3-5-18(6-4-17)20-9-13-22(14-10-20)30-24(28)16(2)26/h3-6,15-16,19-22H,7-14H2,1-2H3.
What are the key properties of [4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate?
[4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate has a molecular weight of 422.51 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate is sourced from PubChem (CID 18960255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).