1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane

C17H26F4O2 — CID 118181685

IUPAC1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane
SMILESC=CCOC1CCC(C2CCC(OCC)C(F)C2F)C(F)C1F
InChIInChI=1S/C17H26F4O2/c1-3-9-23-13-8-6-11(15(19)17(13)21)10-5-7-12(22-4-2)16(20)14(10)18/h3,10-17H,1,4-9H2,2H3
InChIKeyBJCNFXWBWFAEMI-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.14
Rot. Bonds6

About 1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane

1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane (PubChem CID 118181685) has the molecular formula C17H26F4O2 and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane.

Molecular Properties

Compound Name1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane
PubChem CID118181685
Molecular FormulaC17H26F4O2
Molecular Weight338.39 g/mol
Exact Mass338.19
IUPAC Name1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane
SMILESC=CCOC1CCC(C2CCC(OCC)C(F)C2F)C(F)C1F
InChIInChI=1S/C17H26F4O2/c1-3-9-23-13-8-6-11(15(19)17(13)21)10-5-7-12(22-4-2)16(20)14(10)18/h3,10-17H,1,4-9H2,2H3
InChIKeyBJCNFXWBWFAEMI-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.14
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-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane?
The IUPAC name of 1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane (CID 118181685) is 1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane.
What is the SMILES notation for 1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane?
The canonical SMILES for 1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane is C=CCOC1CCC(C2CCC(OCC)C(F)C2F)C(F)C1F.
What is the InChIKey of 1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane?
The InChIKey is BJCNFXWBWFAEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F4O2/c1-3-9-23-13-8-6-11(15(19)17(13)21)10-5-7-12(22-4-2)16(20)14(10)18/h3,10-17H,1,4-9H2,2H3.
What are the key properties of 1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane?
1-(2,3-difluoro-4-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane has a molecular weight of 338.39 g/mol, XLogP of 4.14, 6 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-prop-2-enoxycyclohexyl)-4-ethoxy-2,3-difluorocyclohexane is sourced from PubChem (CID 118181685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).