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

C16H26F2 — CID 138493538

IUPAC1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane
SMILESCC1CCC(CC2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C16H26F2/c1-12-2-4-13(5-3-12)10-14-6-8-15(9-7-14)11-16(17)18/h11-15H,2-10H2,1H3
InChIKeyQBQUXKSRRJVVGB-UHFFFAOYSA-N
MW256.38 g/mol
LogP5.79
Rot. Bonds3

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

1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane (PubChem CID 138493538) has the molecular formula C16H26F2 and a molecular weight of 256.38 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane
PubChem CID138493538
Molecular FormulaC16H26F2
Molecular Weight256.38 g/mol
Exact Mass256.20
IUPAC Name1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane
SMILESCC1CCC(CC2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C16H26F2/c1-12-2-4-13(5-3-12)10-14-6-8-15(9-7-14)11-16(17)18/h11-15H,2-10H2,1H3
InChIKeyQBQUXKSRRJVVGB-UHFFFAOYSA-N
XLogP5.79
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 ≤ 55.79
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)methyl]cyclohexane?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane (CID 138493538) is 1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane is CC1CCC(CC2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane?
The InChIKey is QBQUXKSRRJVVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2/c1-12-2-4-13(5-3-12)10-14-6-8-15(9-7-14)11-16(17)18/h11-15H,2-10H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane?
1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane has a molecular weight of 256.38 g/mol, XLogP of 5.79, 3 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)methyl]cyclohexane is sourced from PubChem (CID 138493538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).