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

C15H24F2O2 — CID 20599475

IUPAC2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane
SMILESCCOC1CCC(C2CCC(C=C(F)F)OC2)CC1
InChIInChI=1S/C15H24F2O2/c1-2-18-13-6-3-11(4-7-13)12-5-8-14(19-10-12)9-15(16)17/h9,11-14H,2-8,10H2,1H3
InChIKeySBSMXPARQIZEPO-UHFFFAOYSA-N
MW274.35 g/mol
LogP4.16
Rot. Bonds4

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

2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane (PubChem CID 20599475) has the molecular formula C15H24F2O2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane
PubChem CID20599475
Molecular FormulaC15H24F2O2
Molecular Weight274.35 g/mol
Exact Mass274.17
IUPAC Name2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane
SMILESCCOC1CCC(C2CCC(C=C(F)F)OC2)CC1
InChIInChI=1S/C15H24F2O2/c1-2-18-13-6-3-11(4-7-13)12-5-8-14(19-10-12)9-15(16)17/h9,11-14H,2-8,10H2,1H3
InChIKeySBSMXPARQIZEPO-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-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
1-(2,2-Difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane
CID 19842902

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane?
The IUPAC name of 2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane (CID 20599475) is 2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane?
The canonical SMILES for 2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane is CCOC1CCC(C2CCC(C=C(F)F)OC2)CC1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane?
The InChIKey is SBSMXPARQIZEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O2/c1-2-18-13-6-3-11(4-7-13)12-5-8-14(19-10-12)9-15(16)17/h9,11-14H,2-8,10H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane?
2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane has a molecular weight of 274.35 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-5-(4-ethoxycyclohexyl)oxane is sourced from PubChem (CID 20599475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).