1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane

C15H26F2 — CID 130261235

IUPAC1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane
SMILESCC1CCC(CC2CCC(C)C(F)(F)C2)CC1
InChIInChI=1S/C15H26F2/c1-11-3-6-13(7-4-11)9-14-8-5-12(2)15(16,17)10-14/h11-14H,3-10H2,1-2H3
InChIKeyFYABRGKIHJNFAI-UHFFFAOYSA-N
MW244.37 g/mol
LogP5.27
Rot. Bonds2

About 1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane

1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane (PubChem CID 130261235) has the molecular formula C15H26F2 and a molecular weight of 244.37 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane
PubChem CID130261235
Molecular FormulaC15H26F2
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane
SMILESCC1CCC(CC2CCC(C)C(F)(F)C2)CC1
InChIInChI=1S/C15H26F2/c1-11-3-6-13(7-4-11)9-14-8-5-12(2)15(16,17)10-14/h11-14H,3-10H2,1-2H3
InChIKeyFYABRGKIHJNFAI-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane?
The IUPAC name of 1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane (CID 130261235) is 1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane.
What is the SMILES notation for 1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane?
The canonical SMILES for 1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane is CC1CCC(CC2CCC(C)C(F)(F)C2)CC1.
What is the InChIKey of 1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane?
The InChIKey is FYABRGKIHJNFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2/c1-11-3-6-13(7-4-11)9-14-8-5-12(2)15(16,17)10-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane?
1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane has a molecular weight of 244.37 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane is sourced from PubChem (CID 130261235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).