4-(3-fluoro-4-methylpent-1-en-2-yl)oxane

C11H19FO — CID 89053233

IUPAC4-(3-fluoro-4-methylpent-1-en-2-yl)oxane
SMILESC=C(C1CCOCC1)C(F)C(C)C
InChIInChI=1S/C11H19FO/c1-8(2)11(12)9(3)10-4-6-13-7-5-10/h8,10-11H,3-7H2,1-2H3
InChIKeyJCPNTRXTRWGYDM-UHFFFAOYSA-N
MW186.27 g/mol
LogP2.96
Rot. Bonds3

About 4-(3-fluoro-4-methylpent-1-en-2-yl)oxane

4-(3-fluoro-4-methylpent-1-en-2-yl)oxane (PubChem CID 89053233) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylpent-1-en-2-yl)oxane.

Molecular Properties

Compound Name4-(3-fluoro-4-methylpent-1-en-2-yl)oxane
PubChem CID89053233
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name4-(3-fluoro-4-methylpent-1-en-2-yl)oxane
SMILESC=C(C1CCOCC1)C(F)C(C)C
InChIInChI=1S/C11H19FO/c1-8(2)11(12)9(3)10-4-6-13-7-5-10/h8,10-11H,3-7H2,1-2H3
InChIKeyJCPNTRXTRWGYDM-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(3-fluoro-4-methylpent-1-en-2-yl)oxane?
The IUPAC name of 4-(3-fluoro-4-methylpent-1-en-2-yl)oxane (CID 89053233) is 4-(3-fluoro-4-methylpent-1-en-2-yl)oxane.
What is the SMILES notation for 4-(3-fluoro-4-methylpent-1-en-2-yl)oxane?
The canonical SMILES for 4-(3-fluoro-4-methylpent-1-en-2-yl)oxane is C=C(C1CCOCC1)C(F)C(C)C.
What is the InChIKey of 4-(3-fluoro-4-methylpent-1-en-2-yl)oxane?
The InChIKey is JCPNTRXTRWGYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO/c1-8(2)11(12)9(3)10-4-6-13-7-5-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 4-(3-fluoro-4-methylpent-1-en-2-yl)oxane?
4-(3-fluoro-4-methylpent-1-en-2-yl)oxane has a molecular weight of 186.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylpent-1-en-2-yl)oxane is sourced from PubChem (CID 89053233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).