3-cyclohexyl-1,2-difluoro-4-methylbenzene

C13H16F2 — CID 131994497

IUPAC3-cyclohexyl-1,2-difluoro-4-methylbenzene
SMILESCc1ccc(F)c(F)c1C1CCCCC1
InChIInChI=1S/C13H16F2/c1-9-7-8-11(14)13(15)12(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyVPNSTOAGUPWGJW-UHFFFAOYSA-N
MW210.27 g/mol
LogP4.32
Rot. Bonds1

About 3-cyclohexyl-1,2-difluoro-4-methylbenzene

3-cyclohexyl-1,2-difluoro-4-methylbenzene (PubChem CID 131994497) has the molecular formula C13H16F2 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-cyclohexyl-1,2-difluoro-4-methylbenzene.

Molecular Properties

Compound Name3-cyclohexyl-1,2-difluoro-4-methylbenzene
PubChem CID131994497
Molecular FormulaC13H16F2
Molecular Weight210.27 g/mol
Exact Mass210.12
IUPAC Name3-cyclohexyl-1,2-difluoro-4-methylbenzene
SMILESCc1ccc(F)c(F)c1C1CCCCC1
InChIInChI=1S/C13H16F2/c1-9-7-8-11(14)13(15)12(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyVPNSTOAGUPWGJW-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,2-difluoro-4-methylbenzene?
The IUPAC name of 3-cyclohexyl-1,2-difluoro-4-methylbenzene (CID 131994497) is 3-cyclohexyl-1,2-difluoro-4-methylbenzene.
What is the SMILES notation for 3-cyclohexyl-1,2-difluoro-4-methylbenzene?
The canonical SMILES for 3-cyclohexyl-1,2-difluoro-4-methylbenzene is Cc1ccc(F)c(F)c1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,2-difluoro-4-methylbenzene?
The InChIKey is VPNSTOAGUPWGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2/c1-9-7-8-11(14)13(15)12(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-1,2-difluoro-4-methylbenzene?
3-cyclohexyl-1,2-difluoro-4-methylbenzene has a molecular weight of 210.27 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,2-difluoro-4-methylbenzene is sourced from PubChem (CID 131994497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).