1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane

C16H26F2 — CID 11299841

IUPAC1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(=C(F)F)CC2)CC1
InChIInChI=1S/C16H26F2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-14H,2-11H2,1H3
InChIKeyFGAOYGCEDPVTBY-UHFFFAOYSA-N
MW256.38 g/mol
LogP5.93
Rot. Bonds3

About 1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane

1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 11299841) has the molecular formula C16H26F2 and a molecular weight of 256.38 g/mol. Its IUPAC name is 1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID11299841
Molecular FormulaC16H26F2
Molecular Weight256.38 g/mol
Exact Mass256.20
IUPAC Name1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(=C(F)F)CC2)CC1
InChIInChI=1S/C16H26F2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-14H,2-11H2,1H3
InChIKeyFGAOYGCEDPVTBY-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.38
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane (CID 11299841) is 1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(=C(F)F)CC2)CC1.
What is the InChIKey of 1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is FGAOYGCEDPVTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-14H,2-11H2,1H3.
What are the key properties of 1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane?
1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 256.38 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 11299841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).