3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene

C20H25F — CID 168802913

IUPAC3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene
SMILESCC(C)(C)c1cc(F)c2cc(C3CCCCC3)ccc2c1
InChIInChI=1S/C20H25F/c1-20(2,3)17-11-16-10-9-15(12-18(16)19(21)13-17)14-7-5-4-6-8-14/h9-14H,4-8H2,1-3H3
InChIKeyAVSBCFYEACOTFG-UHFFFAOYSA-N
MW284.42 g/mol
LogP6.32
Rot. Bonds1

About 3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene

3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene (PubChem CID 168802913) has the molecular formula C20H25F and a molecular weight of 284.42 g/mol. Its IUPAC name is 3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene.

Molecular Properties

Compound Name3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene
PubChem CID168802913
Molecular FormulaC20H25F
Molecular Weight284.42 g/mol
Exact Mass284.19
IUPAC Name3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene
SMILESCC(C)(C)c1cc(F)c2cc(C3CCCCC3)ccc2c1
InChIInChI=1S/C20H25F/c1-20(2,3)17-11-16-10-9-15(12-18(16)19(21)13-17)14-7-5-4-6-8-14/h9-14H,4-8H2,1-3H3
InChIKeyAVSBCFYEACOTFG-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.42
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene?
The IUPAC name of 3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene (CID 168802913) is 3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene.
What is the SMILES notation for 3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene?
The canonical SMILES for 3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene is CC(C)(C)c1cc(F)c2cc(C3CCCCC3)ccc2c1.
What is the InChIKey of 3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene?
The InChIKey is AVSBCFYEACOTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F/c1-20(2,3)17-11-16-10-9-15(12-18(16)19(21)13-17)14-7-5-4-6-8-14/h9-14H,4-8H2,1-3H3.
What are the key properties of 3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene?
3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene has a molecular weight of 284.42 g/mol, XLogP of 6.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene is sourced from PubChem (CID 168802913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).