2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane

C17H26F2O — CID 134447531

IUPAC2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane
SMILESC/C=C(C(\F)=C(/C)F)/C1CCC(C2CCCCC2)OC1
InChIInChI=1S/C17H26F2O/c1-3-15(17(19)12(2)18)14-9-10-16(20-11-14)13-7-5-4-6-8-13/h3,13-14,16H,4-11H2,1-2H3/b15-3-,17-12-
InChIKeyCTDQKVDMAWLYRW-YODNQWBFSA-N
MW284.39 g/mol
LogP5.48
Rot. Bonds3

About 2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane

2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane (PubChem CID 134447531) has the molecular formula C17H26F2O and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane.

Molecular Properties

Compound Name2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane
PubChem CID134447531
Molecular FormulaC17H26F2O
Molecular Weight284.39 g/mol
Exact Mass284.20
IUPAC Name2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane
SMILESC/C=C(C(\F)=C(/C)F)/C1CCC(C2CCCCC2)OC1
InChIInChI=1S/C17H26F2O/c1-3-15(17(19)12(2)18)14-9-10-16(20-11-14)13-7-5-4-6-8-13/h3,13-14,16H,4-11H2,1-2H3/b15-3-,17-12-
InChIKeyCTDQKVDMAWLYRW-YODNQWBFSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.39
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane?
The IUPAC name of 2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane (CID 134447531) is 2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane.
What is the SMILES notation for 2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane?
The canonical SMILES for 2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane is C/C=C(C(\F)=C(/C)F)/C1CCC(C2CCCCC2)OC1.
What is the InChIKey of 2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane?
The InChIKey is CTDQKVDMAWLYRW-YODNQWBFSA-N. The full InChI is InChI=1S/C17H26F2O/c1-3-15(17(19)12(2)18)14-9-10-16(20-11-14)13-7-5-4-6-8-13/h3,13-14,16H,4-11H2,1-2H3/b15-3-,17-12-.
What are the key properties of 2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane?
2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane has a molecular weight of 284.39 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxane is sourced from PubChem (CID 134447531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).