5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane

C16H26F2O — CID 20599876

IUPAC5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCC(C=C(F)F)CO2)CC1
InChIInChI=1S/C16H26F2O/c1-2-3-12-4-7-14(8-5-12)15-9-6-13(11-19-15)10-16(17)18/h10,12-15H,2-9,11H2,1H3
InChIKeySEHVSNOVRMZJDD-UHFFFAOYSA-N
MW272.38 g/mol
LogP5.17
Rot. Bonds4

About 5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane

5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane (PubChem CID 20599876) has the molecular formula C16H26F2O and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane.

Molecular Properties

Compound Name5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane
PubChem CID20599876
Molecular FormulaC16H26F2O
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCC(C=C(F)F)CO2)CC1
InChIInChI=1S/C16H26F2O/c1-2-3-12-4-7-14(8-5-12)15-9-6-13(11-19-15)10-16(17)18/h10,12-15H,2-9,11H2,1H3
InChIKeySEHVSNOVRMZJDD-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-Difluoroethenyl)-4-(4-dodecoxycyclohexyl)cyclohexane
CID 19842702
1-(2,2-Difluoroethenyl)-4-(4-ethoxycyclohexyl)cyclohexane
CID 19842730
1-Decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 19842733
1-Butoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 19842747
1-(2,2-Difluoroethenyl)-4-(4-propoxycyclohexyl)cyclohexane
CID 19842752
1-(2,2-Difluoroethenyl)-4-(4-pentoxycyclohexyl)cyclohexane
CID 19842753
1-(2,2-Difluoroethenyl)-4-(4-hexoxycyclohexyl)cyclohexane
CID 19842772
1-(2,2-Difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19842791
1-(2,2-Difluoroethenyl)-4-(4-octoxycyclohexyl)cyclohexane
CID 19842845
1-(2,2-Difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane
CID 19842846
1-(2,2-Difluoroethenyl)-4-(4-heptoxycyclohexyl)cyclohexane
CID 19842878
1-(2,2-Difluoroethenyl)-4-(4-undecoxycyclohexyl)cyclohexane
CID 19842897

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane?
The IUPAC name of 5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane (CID 20599876) is 5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane.
What is the SMILES notation for 5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane?
The canonical SMILES for 5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane is CCCC1CCC(C2CCC(C=C(F)F)CO2)CC1.
What is the InChIKey of 5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane?
The InChIKey is SEHVSNOVRMZJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O/c1-2-3-12-4-7-14(8-5-12)15-9-6-13(11-19-15)10-16(17)18/h10,12-15H,2-9,11H2,1H3.
What are the key properties of 5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane?
5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane has a molecular weight of 272.38 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethenyl)-2-(4-propylcyclohexyl)oxane is sourced from PubChem (CID 20599876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).