1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane

C15H26F2O2 — CID 126584670

IUPAC1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane
SMILESCC/C=C\COC1CCC(OCCCC)C(F)C1F
InChIInChI=1S/C15H26F2O2/c1-3-5-7-11-19-13-9-8-12(14(16)15(13)17)18-10-6-4-2/h5,7,12-15H,3-4,6,8-11H2,1-2H3/b7-5-
InChIKeyGMKUYQHFARDGDU-ALCCZGGFSA-N
MW276.37 g/mol
LogP3.99
Rot. Bonds8

About 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane

1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane (PubChem CID 126584670) has the molecular formula C15H26F2O2 and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane.

Molecular Properties

Compound Name1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane
PubChem CID126584670
Molecular FormulaC15H26F2O2
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane
SMILESCC/C=C\COC1CCC(OCCCC)C(F)C1F
InChIInChI=1S/C15H26F2O2/c1-3-5-7-11-19-13-9-8-12(14(16)15(13)17)18-10-6-4-2/h5,7,12-15H,3-4,6,8-11H2,1-2H3/b7-5-
InChIKeyGMKUYQHFARDGDU-ALCCZGGFSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 53.99
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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Related Compounds

3,6-Diethoxycyclohexene
CID 13244917
(3S)-1-butoxy-2,3-difluoro-4-prop-2-enoxycyclohexane
CID 89652946
2,3-Difluoro-1-prop-2-enoxy-4-propoxycyclohexane
CID 89757028
1-Butoxy-2,3-difluoro-4-prop-2-enoxycyclohexane
CID 89757034
2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane
CID 126584630
1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane
CID 126585130
1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane
CID 129142785
2-Fluoro-1-pent-2-enoxy-4-propoxycyclohexane
CID 139472268
1-But-2-enoxy-4-butoxy-2-fluorocyclohexane
CID 139472283
4-Butoxy-2-fluoro-1-prop-2-enoxycyclohexane
CID 139472285
4-Butoxy-2-fluoro-1-pent-2-enoxycyclohexane
CID 139472287
3-Cyclohexyloxy-3-fluorocyclohexa-1,4-diene
CID 140462656

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane?
The IUPAC name of 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane (CID 126584670) is 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane.
What is the SMILES notation for 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane?
The canonical SMILES for 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane is CC/C=C\COC1CCC(OCCCC)C(F)C1F.
What is the InChIKey of 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane?
The InChIKey is GMKUYQHFARDGDU-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H26F2O2/c1-3-5-7-11-19-13-9-8-12(14(16)15(13)17)18-10-6-4-2/h5,7,12-15H,3-4,6,8-11H2,1-2H3/b7-5-.
What are the key properties of 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane?
1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane has a molecular weight of 276.37 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane is sourced from PubChem (CID 126584670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).