1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene

C15H21F — CID 177192416

IUPAC1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1C1CCC(C)(C)CC1
InChIInChI=1S/C15H21F/c1-11-10-13(16)4-5-14(11)12-6-8-15(2,3)9-7-12/h4-5,10,12H,6-9H2,1-3H3
InChIKeyRKNGGAMPCFIPMB-UHFFFAOYSA-N
MW220.33 g/mol
LogP4.82
Rot. Bonds1

About 1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene

1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene (PubChem CID 177192416) has the molecular formula C15H21F and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene
PubChem CID177192416
Molecular FormulaC15H21F
Molecular Weight220.33 g/mol
Exact Mass220.16
IUPAC Name1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1C1CCC(C)(C)CC1
InChIInChI=1S/C15H21F/c1-11-10-13(16)4-5-14(11)12-6-8-15(2,3)9-7-12/h4-5,10,12H,6-9H2,1-3H3
InChIKeyRKNGGAMPCFIPMB-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene (CID 177192416) is 1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene is Cc1cc(F)ccc1C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene?
The InChIKey is RKNGGAMPCFIPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F/c1-11-10-13(16)4-5-14(11)12-6-8-15(2,3)9-7-12/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene?
1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene has a molecular weight of 220.33 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene is sourced from PubChem (CID 177192416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).