2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol

C9H17FO2 — CID 170281887

IUPAC2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol
SMILESCC/C(=C\CCF)OC(C)CO
InChIInChI=1S/C9H17FO2/c1-3-9(5-4-6-10)12-8(2)7-11/h5,8,11H,3-4,6-7H2,1-2H3/b9-5+
InChIKeyWGJOHQIVVRNXTM-WEVVVXLNSA-N
MW176.23 g/mol
LogP2.04
Rot. Bonds6

About 2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol

2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol (PubChem CID 170281887) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is 2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol.

Molecular Properties

Compound Name2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol
PubChem CID170281887
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol
SMILESCC/C(=C\CCF)OC(C)CO
InChIInChI=1S/C9H17FO2/c1-3-9(5-4-6-10)12-8(2)7-11/h5,8,11H,3-4,6-7H2,1-2H3/b9-5+
InChIKeyWGJOHQIVVRNXTM-WEVVVXLNSA-N
XLogP2.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol?
The IUPAC name of 2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol (CID 170281887) is 2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol.
What is the SMILES notation for 2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol?
The canonical SMILES for 2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol is CC/C(=C\CCF)OC(C)CO.
What is the InChIKey of 2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol?
The InChIKey is WGJOHQIVVRNXTM-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H17FO2/c1-3-9(5-4-6-10)12-8(2)7-11/h5,8,11H,3-4,6-7H2,1-2H3/b9-5+.
What are the key properties of 2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol?
2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol has a molecular weight of 176.23 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol is sourced from PubChem (CID 170281887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).