1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane

C16H24F4O2 — CID 118181658

IUPAC1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(C2CCC(OC)C(F)C2F)C(F)C1F
InChIInChI=1S/C16H24F4O2/c1-3-8-22-12-7-5-10(14(18)16(12)20)9-4-6-11(21-2)15(19)13(9)17/h3,9-16H,1,4-8H2,2H3
InChIKeyKOISMRZSZMGDQL-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.74
Rot. Bonds5

About 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane

1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane (PubChem CID 118181658) has the molecular formula C16H24F4O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane
PubChem CID118181658
Molecular FormulaC16H24F4O2
Molecular Weight324.36 g/mol
Exact Mass324.17
IUPAC Name1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(C2CCC(OC)C(F)C2F)C(F)C1F
InChIInChI=1S/C16H24F4O2/c1-3-8-22-12-7-5-10(14(18)16(12)20)9-4-6-11(21-2)15(19)13(9)17/h3,9-16H,1,4-8H2,2H3
InChIKeyKOISMRZSZMGDQL-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane?
The IUPAC name of 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane (CID 118181658) is 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane.
What is the SMILES notation for 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane?
The canonical SMILES for 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane is C=CCOC1CCC(C2CCC(OC)C(F)C2F)C(F)C1F.
What is the InChIKey of 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane?
The InChIKey is KOISMRZSZMGDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F4O2/c1-3-8-22-12-7-5-10(14(18)16(12)20)9-4-6-11(21-2)15(19)13(9)17/h3,9-16H,1,4-8H2,2H3.
What are the key properties of 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane?
1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane has a molecular weight of 324.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-prop-2-enoxycyclohexane is sourced from PubChem (CID 118181658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).