1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane

C16H26F2 — CID 22983391

IUPAC1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane
SMILESCC1CCC(C(=C(F)F)C2CCC(C)CC2)CC1
InChIInChI=1S/C16H26F2/c1-11-3-7-13(8-4-11)15(16(17)18)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3
InChIKeyNDHRGDPIVNJEIS-UHFFFAOYSA-N
MW256.38 g/mol
LogP5.79
Rot. Bonds2

About 1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane

1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane (PubChem CID 22983391) has the molecular formula C16H26F2 and a molecular weight of 256.38 g/mol. Its IUPAC name is 1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane
PubChem CID22983391
Molecular FormulaC16H26F2
Molecular Weight256.38 g/mol
Exact Mass256.20
IUPAC Name1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane
SMILESCC1CCC(C(=C(F)F)C2CCC(C)CC2)CC1
InChIInChI=1S/C16H26F2/c1-11-3-7-13(8-4-11)15(16(17)18)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3
InChIKeyNDHRGDPIVNJEIS-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Related Compounds

1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane
CID 134932160
1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane
CID 134932161
1-butyl-4-[4-[(E)-3,4-difluorobut-3-enyl]cyclohexyl]cyclohexane
CID 134932978
3-(Difluoromethylidene)-9-pentylspiro[5.5]undecane
CID 15201513
4(4'-Propylcyclohexyl)-1-difluorovinylcyclohexane
CID 10880172
1-(Difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane
CID 11299841
1-(3,3-Difluoroprop-2-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 14692526
1,1-Difluoro-3-(trans-4-(trans-4-pentylcyclohexyl)cyclohexyl)-1-propene
CID 14692527
1-(4,4-Difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 14692528
1-(4,4-Difluorobut-3-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 14692529
1-Butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 14744733
1-(2,2-Difluoroethenyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 14744734

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane?
The IUPAC name of 1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane (CID 22983391) is 1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane.
What is the SMILES notation for 1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane?
The canonical SMILES for 1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane is CC1CCC(C(=C(F)F)C2CCC(C)CC2)CC1.
What is the InChIKey of 1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane?
The InChIKey is NDHRGDPIVNJEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2/c1-11-3-7-13(8-4-11)15(16(17)18)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane?
1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane has a molecular weight of 256.38 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane is sourced from PubChem (CID 22983391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).