cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane

C27H46F2 — CID 91094465

IUPACcyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane
SMILESC1CCC(C2CCCCC2)CC1.CC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C15H24F2.C12H22/c1-11-2-6-13(7-3-11)14-8-4-12(5-9-14)10-15(16)17;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h10-14H,2-9H2,1H3;11-12H,1-10H2
InChIKeyNKJMXNHGPAPDQB-UHFFFAOYSA-N
MW408.66 g/mol
LogP9.55
Rot. Bonds3

About cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane

cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 91094465) has the molecular formula C27H46F2 and a molecular weight of 408.66 g/mol. Its IUPAC name is cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Namecyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane
PubChem CID91094465
Molecular FormulaC27H46F2
Molecular Weight408.66 g/mol
Exact Mass408.36
IUPAC Namecyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane
SMILESC1CCC(C2CCCCC2)CC1.CC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C15H24F2.C12H22/c1-11-2-6-13(7-3-11)14-8-4-12(5-9-14)10-15(16)17;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h10-14H,2-9H2,1H3;11-12H,1-10H2
InChIKeyNKJMXNHGPAPDQB-UHFFFAOYSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane (CID 91094465) is cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane is C1CCC(C2CCCCC2)CC1.CC1CCC(C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is NKJMXNHGPAPDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2.C12H22/c1-11-2-6-13(7-3-11)14-8-4-12(5-9-14)10-15(16)17;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h10-14H,2-9H2,1H3;11-12H,1-10H2.
What are the key properties of cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane?
cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 408.66 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 91094465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).