2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane

C16H26F2O — CID 20599558

IUPAC2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane
SMILESCCCC1CCC(C2CCC(C=C(F)F)CC2)OC1
InChIInChI=1S/C16H26F2O/c1-2-3-13-6-9-15(19-11-13)14-7-4-12(5-8-14)10-16(17)18/h10,12-15H,2-9,11H2,1H3
InChIKeyCINGYYUYICXHQO-UHFFFAOYSA-N
MW272.38 g/mol
LogP5.17
Rot. Bonds4

About 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane

2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane (PubChem CID 20599558) has the molecular formula C16H26F2O and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane
PubChem CID20599558
Molecular FormulaC16H26F2O
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane
SMILESCCCC1CCC(C2CCC(C=C(F)F)CC2)OC1
InChIInChI=1S/C16H26F2O/c1-2-3-13-6-9-15(19-11-13)14-7-4-12(5-8-14)10-16(17)18/h10,12-15H,2-9,11H2,1H3
InChIKeyCINGYYUYICXHQO-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

5-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]butyl]-2-(4-ethylcyclohexyl)oxane
CID 20599964
2-[2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 20599508
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599483
2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599496
5-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]butyl]-2-(4-propylcyclohexyl)-1,3-dioxane
CID 20599965
1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 22011587
[4-(5-propyloxan-2-yl)cyclohexyl]boronic acid
CID 140501060
(2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane
CID 102407968
[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
CID 70829400
5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane
CID 76840358
5-(2,2-difluoroethenyl)-2-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]oxane
CID 20599869
2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620720

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane?
The IUPAC name of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane (CID 20599558) is 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane.
What is the SMILES notation for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane?
The canonical SMILES for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane is CCCC1CCC(C2CCC(C=C(F)F)CC2)OC1.
What is the InChIKey of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane?
The InChIKey is CINGYYUYICXHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O/c1-2-3-13-6-9-15(19-11-13)14-7-4-12(5-8-14)10-16(17)18/h10,12-15H,2-9,11H2,1H3.
What are the key properties of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane?
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane 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 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane is sourced from PubChem (CID 20599558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).