1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane

C15H26F2 — CID 14618233

IUPAC1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C15H26F2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16,17)11-9-14/h12-14H,2-11H2,1H3
InChIKeyMIKSJHDMBLIIGO-UHFFFAOYSA-N
MW244.37 g/mol
LogP5.42
Rot. Bonds3

About 1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane

1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 14618233) has the molecular formula C15H26F2 and a molecular weight of 244.37 g/mol. Its IUPAC name is 1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane
PubChem CID14618233
Molecular FormulaC15H26F2
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C15H26F2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16,17)11-9-14/h12-14H,2-11H2,1H3
InChIKeyMIKSJHDMBLIIGO-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.37
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane (CID 14618233) is 1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is MIKSJHDMBLIIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16,17)11-9-14/h12-14H,2-11H2,1H3.
What are the key properties of 1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane?
1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 244.37 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 14618233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).