1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen

C16H32F2 — CID 158672949

IUPAC1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen
SMILESC.CC1CCC(C2CCC(C=C(F)F)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C15H24F2.CH4.2H2/c1-11-2-6-13(7-3-11)14-8-4-12(5-9-14)10-15(16)17;;;/h10-14H,2-9H2,1H3;1H4;2*1H
InChIKeyIEEDWZPDLXYIGN-UHFFFAOYSA-N
MW262.43 g/mol
LogP6.53
Rot. Bonds2

About 1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen

1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen (PubChem CID 158672949) has the molecular formula C16H32F2 and a molecular weight of 262.43 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen
PubChem CID158672949
Molecular FormulaC16H32F2
Molecular Weight262.43 g/mol
Exact Mass262.25
IUPAC Name1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen
SMILESC.CC1CCC(C2CCC(C=C(F)F)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C15H24F2.CH4.2H2/c1-11-2-6-13(7-3-11)14-8-4-12(5-9-14)10-15(16)17;;;/h10-14H,2-9H2,1H3;1H4;2*1H
InChIKeyIEEDWZPDLXYIGN-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.43
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen (CID 158672949) is 1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen is C.CC1CCC(C2CCC(C=C(F)F)CC2)CC1.[H][H].[H][H].
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen?
The InChIKey is IEEDWZPDLXYIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2.CH4.2H2/c1-11-2-6-13(7-3-11)14-8-4-12(5-9-14)10-15(16)17;;;/h10-14H,2-9H2,1H3;1H4;2*1H.
What are the key properties of 1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen?
1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen has a molecular weight of 262.43 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen is sourced from PubChem (CID 158672949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).