(5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate

C26H27FO2 — CID 139854243

IUPAC(5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate
SMILESCCCC1CCC(c2ccc(C(=O)Oc3ccc4c(F)cccc4c3)cc2)CC1
InChIInChI=1S/C26H27FO2/c1-2-4-18-7-9-19(10-8-18)20-11-13-21(14-12-20)26(28)29-23-15-16-24-22(17-23)5-3-6-25(24)27/h3,5-6,11-19H,2,4,7-10H2,1H3
InChIKeyZRFUVFFHVRMJRQ-UHFFFAOYSA-N
MW390.50 g/mol
LogP7.27
Rot. Bonds5

About (5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate

(5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate (PubChem CID 139854243) has the molecular formula C26H27FO2 and a molecular weight of 390.50 g/mol. Its IUPAC name is (5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate.

Molecular Properties

Compound Name(5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate
PubChem CID139854243
Molecular FormulaC26H27FO2
Molecular Weight390.50 g/mol
Exact Mass390.20
IUPAC Name(5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate
SMILESCCCC1CCC(c2ccc(C(=O)Oc3ccc4c(F)cccc4c3)cc2)CC1
InChIInChI=1S/C26H27FO2/c1-2-4-18-7-9-19(10-8-18)20-11-13-21(14-12-20)26(28)29-23-15-16-24-22(17-23)5-3-6-25(24)27/h3,5-6,11-19H,2,4,7-10H2,1H3
InChIKeyZRFUVFFHVRMJRQ-UHFFFAOYSA-N
XLogP7.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[5-fluoro-6-(trifluoromethyl)naphthalen-2-yl] 4-(4-propylcyclohexyl)benzoate
CID 139856122
[6-(2,2-difluoroethenyl)-5-fluoronaphthalen-2-yl] 4-(4-propylcyclohexyl)benzoate
CID 139856283
[5-fluoro-6-(2,2,2-trifluoroethoxy)naphthalen-2-yl] 4-(4-propylcyclohexyl)benzoate
CID 139855697
(3,4,5-trifluorophenyl) 4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 22941168
(5-fluoronaphthalen-2-yl) 4-propylbenzoate
CID 139854658
[4-(4-propylcyclohexyl)phenyl] 4-methylbenzoate
CID 3093775
(5-fluoronaphthalen-2-yl) 2-fluoro-4-[2-(4-propylcyclohexyl)ethynyl]benzoate
CID 139854576
[4-(4-propylcyclohexyl)phenyl] 4-(difluoromethoxy)benzoate
CID 14765981
(2,5,6-trifluoro-3-pyridinyl) 4-(4-propylcyclohexyl)benzoate
CID 23190581
(6,7-difluoronaphthalen-2-yl) 2,6-difluoro-4-(4-propylcyclohexyl)benzoate
CID 139853961
(4-prop-2-enoylphenyl) 4-(4-propylcyclohexyl)benzoate
CID 59695720
(3-cyanophenyl) 4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 70522820

Frequently Asked Questions

What is the IUPAC name of (5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate?
The IUPAC name of (5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate (CID 139854243) is (5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate.
What is the SMILES notation for (5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate?
The canonical SMILES for (5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate is CCCC1CCC(c2ccc(C(=O)Oc3ccc4c(F)cccc4c3)cc2)CC1.
What is the InChIKey of (5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate?
The InChIKey is ZRFUVFFHVRMJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FO2/c1-2-4-18-7-9-19(10-8-18)20-11-13-21(14-12-20)26(28)29-23-15-16-24-22(17-23)5-3-6-25(24)27/h3,5-6,11-19H,2,4,7-10H2,1H3.
What are the key properties of (5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate?
(5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate has a molecular weight of 390.50 g/mol, XLogP of 7.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoronaphthalen-2-yl) 4-(4-propylcyclohexyl)benzoate is sourced from PubChem (CID 139854243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).