1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane

C16H26F2 — CID 19842850

IUPAC1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(CC=C(F)F)CC2)CC1
InChIInChI=1S/C16H26F2/c1-12-2-7-14(8-3-12)15-9-4-13(5-10-15)6-11-16(17)18/h11-15H,2-10H2,1H3
InChIKeyMXPSRKCPXQAUFT-UHFFFAOYSA-N
MW256.38 g/mol
LogP5.79
Rot. Bonds3

About 1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane

1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 19842850) has the molecular formula C16H26F2 and a molecular weight of 256.38 g/mol. Its IUPAC name is 1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane
PubChem CID19842850
Molecular FormulaC16H26F2
Molecular Weight256.38 g/mol
Exact Mass256.20
IUPAC Name1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(CC=C(F)F)CC2)CC1
InChIInChI=1S/C16H26F2/c1-12-2-7-14(8-3-12)15-9-4-13(5-10-15)6-11-16(17)18/h11-15H,2-10H2,1H3
InChIKeyMXPSRKCPXQAUFT-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-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane (CID 19842850) is 1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane is CC1CCC(C2CCC(CC=C(F)F)CC2)CC1.
What is the InChIKey of 1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is MXPSRKCPXQAUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2/c1-12-2-7-14(8-3-12)15-9-4-13(5-10-15)6-11-16(17)18/h11-15H,2-10H2,1H3.
What are the key properties of 1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane?
1-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)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-(3,3-difluoroprop-2-enyl)-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 19842850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).