2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane

C22H30F2O — CID 154524141

IUPAC2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane
SMILESCCCc1ccc(C2CCC(/C=C/C3CCC(F)(F)OC3)CC2)cc1
InChIInChI=1S/C22H30F2O/c1-2-3-17-6-10-20(11-7-17)21-12-8-18(9-13-21)4-5-19-14-15-22(23,24)25-16-19/h4-7,10-11,18-19,21H,2-3,8-9,12-16H2,1H3/b5-4+
InChIKeyGPTXOWSBDITOJS-SNAWJCMRSA-N
MW348.48 g/mol
LogP6.49
Rot. Bonds5

About 2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane

2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane (PubChem CID 154524141) has the molecular formula C22H30F2O and a molecular weight of 348.48 g/mol. Its IUPAC name is 2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane.

Molecular Properties

Compound Name2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane
PubChem CID154524141
Molecular FormulaC22H30F2O
Molecular Weight348.48 g/mol
Exact Mass348.23
IUPAC Name2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane
SMILESCCCc1ccc(C2CCC(/C=C/C3CCC(F)(F)OC3)CC2)cc1
InChIInChI=1S/C22H30F2O/c1-2-3-17-6-10-20(11-7-17)21-12-8-18(9-13-21)4-5-19-14-15-22(23,24)25-16-19/h4-7,10-11,18-19,21H,2-3,8-9,12-16H2,1H3/b5-4+
InChIKeyGPTXOWSBDITOJS-SNAWJCMRSA-N
XLogP6.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.48
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane
CID 154524140
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene
CID 22915848
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
5-[4-(4-propylphenyl)cyclohexyl]penta-2,4-dienenitrile
CID 54105886
(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 19612816
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
3-(4-propylphenyl)oxetane
CID 130361103
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane?
The IUPAC name of 2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane (CID 154524141) is 2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane.
What is the SMILES notation for 2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane?
The canonical SMILES for 2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane is CCCc1ccc(C2CCC(/C=C/C3CCC(F)(F)OC3)CC2)cc1.
What is the InChIKey of 2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane?
The InChIKey is GPTXOWSBDITOJS-SNAWJCMRSA-N. The full InChI is InChI=1S/C22H30F2O/c1-2-3-17-6-10-20(11-7-17)21-12-8-18(9-13-21)4-5-19-14-15-22(23,24)25-16-19/h4-7,10-11,18-19,21H,2-3,8-9,12-16H2,1H3/b5-4+.
What are the key properties of 2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane?
2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane has a molecular weight of 348.48 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane is sourced from PubChem (CID 154524141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).