1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane

C16H26F2O — CID 19842791

IUPAC1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
SMILESCOCC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C16H26F2O/c1-19-11-13-4-8-15(9-5-13)14-6-2-12(3-7-14)10-16(17)18/h10,12-15H,2-9,11H2,1H3
InChIKeySXOWVBSLHHPEDL-UHFFFAOYSA-N
MW272.38 g/mol
LogP5.03
Rot. Bonds4

About 1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane

1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane (PubChem CID 19842791) has the molecular formula C16H26F2O and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
PubChem CID19842791
Molecular FormulaC16H26F2O
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
SMILESCOCC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C16H26F2O/c1-19-11-13-4-8-15(9-5-13)14-6-2-12(3-7-14)10-16(17)18/h10,12-15H,2-9,11H2,1H3
InChIKeySXOWVBSLHHPEDL-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane (CID 19842791) is 1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane is COCC1CCC(C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
The InChIKey is SXOWVBSLHHPEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O/c1-19-11-13-4-8-15(9-5-13)14-6-2-12(3-7-14)10-16(17)18/h10,12-15H,2-9,11H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane has a molecular weight of 272.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 19842791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).