1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane

C14H24F2O2 — CID 126585130

IUPAC1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane
SMILESC/C=C\COC1CCC(OCCCC)C(F)C1F
InChIInChI=1S/C14H24F2O2/c1-3-5-9-17-11-7-8-12(14(16)13(11)15)18-10-6-4-2/h3,5,11-14H,4,6-10H2,1-2H3/b5-3-
InChIKeyMWMHWBUSCRDZII-HYXAFXHYSA-N
MW262.34 g/mol
LogP3.60
Rot. Bonds7

About 1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane

1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane (PubChem CID 126585130) has the molecular formula C14H24F2O2 and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane.

Molecular Properties

Compound Name1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane
PubChem CID126585130
Molecular FormulaC14H24F2O2
Molecular Weight262.34 g/mol
Exact Mass262.17
IUPAC Name1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane
SMILESC/C=C\COC1CCC(OCCCC)C(F)C1F
InChIInChI=1S/C14H24F2O2/c1-3-5-9-17-11-7-8-12(14(16)13(11)15)18-10-6-4-2/h3,5,11-14H,4,6-10H2,1-2H3/b5-3-
InChIKeyMWMHWBUSCRDZII-HYXAFXHYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane?
The IUPAC name of 1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane (CID 126585130) is 1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane.
What is the SMILES notation for 1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane?
The canonical SMILES for 1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane is C/C=C\COC1CCC(OCCCC)C(F)C1F.
What is the InChIKey of 1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane?
The InChIKey is MWMHWBUSCRDZII-HYXAFXHYSA-N. The full InChI is InChI=1S/C14H24F2O2/c1-3-5-9-17-11-7-8-12(14(16)13(11)15)18-10-6-4-2/h3,5,11-14H,4,6-10H2,1-2H3/b5-3-.
What are the key properties of 1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane?
1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane has a molecular weight of 262.34 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane is sourced from PubChem (CID 126585130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).