[2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite

C17H28F2O2 — CID 143840014

IUPAC[2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite
SMILESC=CCC1CCCC(OF)C1C(CC/C=C/C(C)C)OF
InChIInChI=1S/C17H28F2O2/c1-4-8-14-10-7-12-16(21-19)17(14)15(20-18)11-6-5-9-13(2)3/h4-5,9,13-17H,1,6-8,10-12H2,2-3H3/b9-5+
InChIKeyQCQVZMPXLXVHGC-WEVVVXLNSA-N
MW302.40 g/mol
LogP5.51
Rot. Bonds9

About [2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite

[2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite (PubChem CID 143840014) has the molecular formula C17H28F2O2 and a molecular weight of 302.40 g/mol. Its IUPAC name is [2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite.

Molecular Properties

Compound Name[2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite
PubChem CID143840014
Molecular FormulaC17H28F2O2
Molecular Weight302.40 g/mol
Exact Mass302.21
IUPAC Name[2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite
SMILESC=CCC1CCCC(OF)C1C(CC/C=C/C(C)C)OF
InChIInChI=1S/C17H28F2O2/c1-4-8-14-10-7-12-16(21-19)17(14)15(20-18)11-6-5-9-13(2)3/h4-5,9,13-17H,1,6-8,10-12H2,2-3H3/b9-5+
InChIKeyQCQVZMPXLXVHGC-WEVVVXLNSA-N
XLogP5.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 55.51
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 [2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite?
The IUPAC name of [2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite (CID 143840014) is [2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite.
What is the SMILES notation for [2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite?
The canonical SMILES for [2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite is C=CCC1CCCC(OF)C1C(CC/C=C/C(C)C)OF.
What is the InChIKey of [2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite?
The InChIKey is QCQVZMPXLXVHGC-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H28F2O2/c1-4-8-14-10-7-12-16(21-19)17(14)15(20-18)11-6-5-9-13(2)3/h4-5,9,13-17H,1,6-8,10-12H2,2-3H3/b9-5+.
What are the key properties of [2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite?
[2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite has a molecular weight of 302.40 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-1-fluorooxy-6-methylhept-4-enyl]-3-prop-2-enylcyclohexyl] hypofluorite is sourced from PubChem (CID 143840014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).