5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene

C16H23F — CID 163550407

IUPAC5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene
SMILESCc1cc(C2CCC(C)(F)CC2)cc(C)c1C
InChIInChI=1S/C16H23F/c1-11-9-15(10-12(2)13(11)3)14-5-7-16(4,17)8-6-14/h9-10,14H,5-8H2,1-4H3
InChIKeyZOKXTOXXPPBBLZ-UHFFFAOYSA-N
MW234.36 g/mol
LogP5.00
Rot. Bonds1

About 5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene

5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene (PubChem CID 163550407) has the molecular formula C16H23F and a molecular weight of 234.36 g/mol. Its IUPAC name is 5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene.

Molecular Properties

Compound Name5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene
PubChem CID163550407
Molecular FormulaC16H23F
Molecular Weight234.36 g/mol
Exact Mass234.18
IUPAC Name5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene
SMILESCc1cc(C2CCC(C)(F)CC2)cc(C)c1C
InChIInChI=1S/C16H23F/c1-11-9-15(10-12(2)13(11)3)14-5-7-16(4,17)8-6-14/h9-10,14H,5-8H2,1-4H3
InChIKeyZOKXTOXXPPBBLZ-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene?
The IUPAC name of 5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene (CID 163550407) is 5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene.
What is the SMILES notation for 5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene?
The canonical SMILES for 5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene is Cc1cc(C2CCC(C)(F)CC2)cc(C)c1C.
What is the InChIKey of 5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene?
The InChIKey is ZOKXTOXXPPBBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F/c1-11-9-15(10-12(2)13(11)3)14-5-7-16(4,17)8-6-14/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene?
5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene has a molecular weight of 234.36 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-4-methylcyclohexyl)-1,2,3-trimethylbenzene is sourced from PubChem (CID 163550407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).