5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane

C18H26F2O — CID 20599859

IUPAC5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane
SMILESC/C=C/C1CCC(/C=C/C2CCC(C=C(F)F)CO2)CC1
InChIInChI=1S/C18H26F2O/c1-2-3-14-4-6-15(7-5-14)8-10-17-11-9-16(13-21-17)12-18(19)20/h2-3,8,10,12,14-17H,4-7,9,11,13H2,1H3/b3-2+,10-8+
InChIKeyLRGJBDKPBVCHJV-QFMFQGICSA-N
MW296.40 g/mol
LogP5.50
Rot. Bonds4

About 5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane

5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane (PubChem CID 20599859) has the molecular formula C18H26F2O and a molecular weight of 296.40 g/mol. Its IUPAC name is 5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane.

Molecular Properties

Compound Name5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane
PubChem CID20599859
Molecular FormulaC18H26F2O
Molecular Weight296.40 g/mol
Exact Mass296.20
IUPAC Name5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane
SMILESC/C=C/C1CCC(/C=C/C2CCC(C=C(F)F)CO2)CC1
InChIInChI=1S/C18H26F2O/c1-2-3-14-4-6-15(7-5-14)8-10-17-11-9-16(13-21-17)12-18(19)20/h2-3,8,10,12,14-17H,4-7,9,11,13H2,1H3/b3-2+,10-8+
InChIKeyLRGJBDKPBVCHJV-QFMFQGICSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.40
LogP ≤ 55.50
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

3-(2,2,2-Trifluoro-1-prop-2-enoxyethyl)cyclohexene
CID 86077588
3-(1-Cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene
CID 86077592
2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane
CID 20599488
2-[(E)-2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]-5-pentyloxane
CID 20599491
2-[(E)-2-[4-(5,5-difluoropent-4-enyl)cyclohexyl]ethenyl]-5-[4-[(E)-prop-1-enyl]cyclohexyl]oxane
CID 20599526
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599556
2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599686
5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane
CID 20599877
5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane
CID 20599893
5-[4-[4-(2,2-difluoroethenyl)cyclohexyl]butyl]-2-[(E)-pent-1-enyl]oxane
CID 20599939
5-[4-[4-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]butyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane
CID 20599971
5-[4-[4-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]cyclohexyl]butyl]-2-[(E)-pent-1-enyl]oxane
CID 20599973

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane?
The IUPAC name of 5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane (CID 20599859) is 5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane.
What is the SMILES notation for 5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane?
The canonical SMILES for 5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane is C/C=C/C1CCC(/C=C/C2CCC(C=C(F)F)CO2)CC1.
What is the InChIKey of 5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane?
The InChIKey is LRGJBDKPBVCHJV-QFMFQGICSA-N. The full InChI is InChI=1S/C18H26F2O/c1-2-3-14-4-6-15(7-5-14)8-10-17-11-9-16(13-21-17)12-18(19)20/h2-3,8,10,12,14-17H,4-7,9,11,13H2,1H3/b3-2+,10-8+.
What are the key properties of 5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane?
5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane has a molecular weight of 296.40 g/mol, XLogP of 5.50, 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-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane is sourced from PubChem (CID 20599859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).