1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane

C15H24F2O — CID 89022659

IUPAC1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane
SMILESC=C(C)OC1CCC(C2CCCCC2)C(F)C1F
InChIInChI=1S/C15H24F2O/c1-10(2)18-13-9-8-12(14(16)15(13)17)11-6-4-3-5-7-11/h11-15H,1,3-9H2,2H3
InChIKeyCLXYYRDBEYFEEN-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.57
Rot. Bonds3

About 1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane

1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane (PubChem CID 89022659) has the molecular formula C15H24F2O and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane
PubChem CID89022659
Molecular FormulaC15H24F2O
Molecular Weight258.35 g/mol
Exact Mass258.18
IUPAC Name1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane
SMILESC=C(C)OC1CCC(C2CCCCC2)C(F)C1F
InChIInChI=1S/C15H24F2O/c1-10(2)18-13-9-8-12(14(16)15(13)17)11-6-4-3-5-7-11/h11-15H,1,3-9H2,2H3
InChIKeyCLXYYRDBEYFEEN-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
1-Cyclohexyl-4-(2,2-difluoroethenoxy)cyclohexane
CID 129227642
1-Tert-butyl-4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexane
CID 135080583
1-(2,2-Difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 15376156
2,3-Difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane
CID 20645952
1-Ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
CID 20645954
2,3-Difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane
CID 20645957
1-(4-Ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane
CID 20645959
1-(2,2-Difluoroethenoxy)-4-(4-methylcyclohexyl)cyclohexane
CID 53891269
2,3-Difluoro-1-methoxy-4-(4-methylcyclohexyl)cyclohexane
CID 57857880
1-(2,2-Difluoroethenoxy)-4-(4-pentylcyclohexyl)cyclohexane
CID 57935355
1-Propyl-4-[4-(1,2,2-trifluoroethenoxy)cyclohexyl]cyclohexane
CID 58040742

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane?
The IUPAC name of 1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane (CID 89022659) is 1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane.
What is the SMILES notation for 1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane?
The canonical SMILES for 1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane is C=C(C)OC1CCC(C2CCCCC2)C(F)C1F.
What is the InChIKey of 1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane?
The InChIKey is CLXYYRDBEYFEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O/c1-10(2)18-13-9-8-12(14(16)15(13)17)11-6-4-3-5-7-11/h11-15H,1,3-9H2,2H3.
What are the key properties of 1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane?
1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane has a molecular weight of 258.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane is sourced from PubChem (CID 89022659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).