5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane

C19H30F2O2 — CID 20599877

IUPAC5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane
SMILESCOC/C=C/C1CCC(CCC2CCC(C=C(F)F)CC2)CO1
InChIInChI=1S/C19H30F2O2/c1-22-12-2-3-18-11-10-17(14-23-18)9-6-15-4-7-16(8-5-15)13-19(20)21/h2-3,13,15-18H,4-12,14H2,1H3/b3-2+
InChIKeyFEIQNKYAVYQDJC-NSCUHMNNSA-N
MW328.44 g/mol
LogP5.35
Rot. Bonds7

About 5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane

5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane (PubChem CID 20599877) has the molecular formula C19H30F2O2 and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane.

Molecular Properties

Compound Name5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane
PubChem CID20599877
Molecular FormulaC19H30F2O2
Molecular Weight328.44 g/mol
Exact Mass328.22
IUPAC Name5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane
SMILESCOC/C=C/C1CCC(CCC2CCC(C=C(F)F)CC2)CO1
InChIInChI=1S/C19H30F2O2/c1-22-12-2-3-18-11-10-17(14-23-18)9-6-15-4-7-16(8-5-15)13-19(20)21/h2-3,13,15-18H,4-12,14H2,1H3/b3-2+
InChIKeyFEIQNKYAVYQDJC-NSCUHMNNSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2r,4r,4Ar,7r,8ar)-4-fluro-4,7-dimethyl-2-((e)-prop-1-en-1-yl)octahydro-2h-chromene
CID 154573994
2-(2,2-Difluoroethenyl)-5-[2-(4-pentylcyclohexyl)ethyl]oxane
CID 20599454
2-(2,2-difluoroethenyl)-5-[4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]cyclohexyl]oxane
CID 20599464
2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane
CID 20599472
2-(2,2-Difluoroethenyl)-5-[4-(4-propylcyclohexyl)butyl]oxane
CID 20599473
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-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane
CID 20599591
2-[4-[4-[4-(5,5-difluoropent-4-enyl)cyclohexyl]butyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane
CID 20599667
2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599686

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane?
The IUPAC name of 5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane (CID 20599877) is 5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane.
What is the SMILES notation for 5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane?
The canonical SMILES for 5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane is COC/C=C/C1CCC(CCC2CCC(C=C(F)F)CC2)CO1.
What is the InChIKey of 5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane?
The InChIKey is FEIQNKYAVYQDJC-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H30F2O2/c1-22-12-2-3-18-11-10-17(14-23-18)9-6-15-4-7-16(8-5-15)13-19(20)21/h2-3,13,15-18H,4-12,14H2,1H3/b3-2+.
What are the key properties of 5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane?
5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane has a molecular weight of 328.44 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane is sourced from PubChem (CID 20599877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).