1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene

C16H22F2 — CID 139603706

IUPAC1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene
SMILESCc1ccc(CC(F)(F)C2CCC(C)CC2)cc1
InChIInChI=1S/C16H22F2/c1-12-3-7-14(8-4-12)11-16(17,18)15-9-5-13(2)6-10-15/h3-4,7-8,13,15H,5-6,9-11H2,1-2H3
InChIKeyJOOZAEPTRFFOJX-UHFFFAOYSA-N
MW252.35 g/mol
LogP5.00
Rot. Bonds3

About 1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene

1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene (PubChem CID 139603706) has the molecular formula C16H22F2 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene
PubChem CID139603706
Molecular FormulaC16H22F2
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene
SMILESCc1ccc(CC(F)(F)C2CCC(C)CC2)cc1
InChIInChI=1S/C16H22F2/c1-12-3-7-14(8-4-12)11-16(17,18)15-9-5-13(2)6-10-15/h3-4,7-8,13,15H,5-6,9-11H2,1-2H3
InChIKeyJOOZAEPTRFFOJX-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene?
The IUPAC name of 1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene (CID 139603706) is 1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene.
What is the SMILES notation for 1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene?
The canonical SMILES for 1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene is Cc1ccc(CC(F)(F)C2CCC(C)CC2)cc1.
What is the InChIKey of 1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene?
The InChIKey is JOOZAEPTRFFOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2/c1-12-3-7-14(8-4-12)11-16(17,18)15-9-5-13(2)6-10-15/h3-4,7-8,13,15H,5-6,9-11H2,1-2H3.
What are the key properties of 1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene?
1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene has a molecular weight of 252.35 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene is sourced from PubChem (CID 139603706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).