[4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate

C28H40F2O4 — CID 18960174

IUPAC[4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate
SMILESCCCC(F)C(=O)OC1CCC(c2ccc(C3CCC(OC(=O)C(F)CCC)CC3)cc2)CC1
InChIInChI=1S/C28H40F2O4/c1-3-5-25(29)27(31)33-23-15-11-21(12-16-23)19-7-9-20(10-8-19)22-13-17-24(18-14-22)34-28(32)26(30)6-4-2/h7-10,21-26H,3-6,11-18H2,1-2H3
InChIKeyUXXIIGSJFUWDFN-UHFFFAOYSA-N
MW478.62 g/mol
LogP7.10
Rot. Bonds10

About [4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate

[4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate (PubChem CID 18960174) has the molecular formula C28H40F2O4 and a molecular weight of 478.62 g/mol. Its IUPAC name is [4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate.

Molecular Properties

Compound Name[4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate
PubChem CID18960174
Molecular FormulaC28H40F2O4
Molecular Weight478.62 g/mol
Exact Mass478.29
IUPAC Name[4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate
SMILESCCCC(F)C(=O)OC1CCC(c2ccc(C3CCC(OC(=O)C(F)CCC)CC3)cc2)CC1
InChIInChI=1S/C28H40F2O4/c1-3-5-25(29)27(31)33-23-15-11-21(12-16-23)19-7-9-20(10-8-19)22-13-17-24(18-14-22)34-28(32)26(30)6-4-2/h7-10,21-26H,3-6,11-18H2,1-2H3
InChIKeyUXXIIGSJFUWDFN-UHFFFAOYSA-N
XLogP7.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.62
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate with MolForge

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Related Compounds

(5-Methyl-2-propan-2-ylcyclohexyl) 2-[4-(2-methylpropyl)phenyl]propanoate
CID 68122021
Oxan-2-ylmethyl 7-(4-phenylphenyl)heptanoate
CID 56950318
Oxan-2-ylmethyl 4-(4-phenylphenyl)butanoate
CID 56950179
(3R,4R)-4-benzyl-3-[[4-(trifluoromethyl)phenyl]methyl]oxolan-2-one
CID 137647985
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
4,4-Bis(4-fluorophenyl)butyl acetate
CID 17940693
Ethyl 4-[4-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxylate
CID 102350539
US10336684, Example 3
CID 132129969
[(2S)-2-cyclohexylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate
CID 17757883
methyl (1R,2S)-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylate
CID 101480582
[(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate
CID 102381317

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate?
The IUPAC name of [4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate (CID 18960174) is [4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate.
What is the SMILES notation for [4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate?
The canonical SMILES for [4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate is CCCC(F)C(=O)OC1CCC(c2ccc(C3CCC(OC(=O)C(F)CCC)CC3)cc2)CC1.
What is the InChIKey of [4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate?
The InChIKey is UXXIIGSJFUWDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40F2O4/c1-3-5-25(29)27(31)33-23-15-11-21(12-16-23)19-7-9-20(10-8-19)22-13-17-24(18-14-22)34-28(32)26(30)6-4-2/h7-10,21-26H,3-6,11-18H2,1-2H3.
What are the key properties of [4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate?
[4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate has a molecular weight of 478.62 g/mol, XLogP of 7.10, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(2-fluoropentanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropentanoate is sourced from PubChem (CID 18960174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).