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

C22H34F2O — CID 20599472

IUPAC2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane
SMILESC/C=C/C1CCC(C2CCC(C3CCC(C=C(F)F)OC3)CC2)CC1
InChIInChI=1S/C22H34F2O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-21(25-15-20)14-22(23)24/h2-3,14,16-21H,4-13,15H2,1H3/b3-2+
InChIKeyPQKALKVNROGKTH-NSCUHMNNSA-N
MW352.51 g/mol
LogP6.75
Rot. Bonds4

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

2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane (PubChem CID 20599472) has the molecular formula C22H34F2O and a molecular weight of 352.51 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane
PubChem CID20599472
Molecular FormulaC22H34F2O
Molecular Weight352.51 g/mol
Exact Mass352.26
IUPAC Name2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane
SMILESC/C=C/C1CCC(C2CCC(C3CCC(C=C(F)F)OC3)CC2)CC1
InChIInChI=1S/C22H34F2O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-21(25-15-20)14-22(23)24/h2-3,14,16-21H,4-13,15H2,1H3/b3-2+
InChIKeyPQKALKVNROGKTH-NSCUHMNNSA-N
XLogP6.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.51
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,2-difluoroethenyl)-2-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]oxane
CID 20599869
5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane
CID 20600002
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
2-(2,2-difluoroethenyl)-5-[4-[2-(4-prop-2-enylcyclohexyl)ethyl]cyclohexyl]oxane
CID 20599924
5-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-[(E)-pent-3-enyl]oxane
CID 20599968
2-[(E)-2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethenyl]-5-propoxyoxane
CID 20599509
4-[(E)-prop-1-enyl]cyclohexan-1-ol
CID 14498680
methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 159017755
5-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-2-(4-methylcyclohexyl)-1,3-dioxane
CID 162548124
[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol
CID 54475864
1-(3-fluoropropyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 70907603
2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-(4-ethenylcyclohexyl)-1,3-dioxane
CID 20599587

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane?
The IUPAC name of 2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane (CID 20599472) is 2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane?
The canonical SMILES for 2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane is C/C=C/C1CCC(C2CCC(C3CCC(C=C(F)F)OC3)CC2)CC1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane?
The InChIKey is PQKALKVNROGKTH-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H34F2O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-21(25-15-20)14-22(23)24/h2-3,14,16-21H,4-13,15H2,1H3/b3-2+.
What are the key properties of 2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane?
2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane has a molecular weight of 352.51 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane is sourced from PubChem (CID 20599472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).