1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene

C21H31F — CID 22392468

IUPAC1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene
SMILESCCCC1CCC(c2ccc(F)cc2)(C2CCCCC2)CC1
InChIInChI=1S/C21H31F/c1-2-6-17-13-15-21(16-14-17,18-7-4-3-5-8-18)19-9-11-20(22)12-10-19/h9-12,17-18H,2-8,13-16H2,1H3
InChIKeyVEGUEKMQQLNKAZ-UHFFFAOYSA-N
MW302.48 g/mol
LogP6.63
Rot. Bonds4

About 1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene

1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene (PubChem CID 22392468) has the molecular formula C21H31F and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene
PubChem CID22392468
Molecular FormulaC21H31F
Molecular Weight302.48 g/mol
Exact Mass302.24
IUPAC Name1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene
SMILESCCCC1CCC(c2ccc(F)cc2)(C2CCCCC2)CC1
InChIInChI=1S/C21H31F/c1-2-6-17-13-15-21(16-14-17,18-7-4-3-5-8-18)19-9-11-20(22)12-10-19/h9-12,17-18H,2-8,13-16H2,1H3
InChIKeyVEGUEKMQQLNKAZ-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.48
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene?
The IUPAC name of 1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene (CID 22392468) is 1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene.
What is the SMILES notation for 1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene?
The canonical SMILES for 1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene is CCCC1CCC(c2ccc(F)cc2)(C2CCCCC2)CC1.
What is the InChIKey of 1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene?
The InChIKey is VEGUEKMQQLNKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F/c1-2-6-17-13-15-21(16-14-17,18-7-4-3-5-8-18)19-9-11-20(22)12-10-19/h9-12,17-18H,2-8,13-16H2,1H3.
What are the key properties of 1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene?
1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene has a molecular weight of 302.48 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene is sourced from PubChem (CID 22392468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).