[(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane

C10H15FO — CID 134559078

IUPAC[(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane
SMILESCC(C)=C/C(F)=C/OCC1CC1
InChIInChI=1S/C10H15FO/c1-8(2)5-10(11)7-12-6-9-3-4-9/h5,7,9H,3-4,6H2,1-2H3/b10-7-
InChIKeyGBDHOQHLSFVDQU-YFHOEESVSA-N
MW170.23 g/mol
LogP3.19
Rot. Bonds4

About [(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane

[(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane (PubChem CID 134559078) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is [(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane.

Molecular Properties

Compound Name[(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane
PubChem CID134559078
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name[(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane
SMILESCC(C)=C/C(F)=C/OCC1CC1
InChIInChI=1S/C10H15FO/c1-8(2)5-10(11)7-12-6-9-3-4-9/h5,7,9H,3-4,6H2,1-2H3/b10-7-
InChIKeyGBDHOQHLSFVDQU-YFHOEESVSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane?
The IUPAC name of [(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane (CID 134559078) is [(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane.
What is the SMILES notation for [(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane?
The canonical SMILES for [(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane is CC(C)=C/C(F)=C/OCC1CC1.
What is the InChIKey of [(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane?
The InChIKey is GBDHOQHLSFVDQU-YFHOEESVSA-N. The full InChI is InChI=1S/C10H15FO/c1-8(2)5-10(11)7-12-6-9-3-4-9/h5,7,9H,3-4,6H2,1-2H3/b10-7-.
What are the key properties of [(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane?
[(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane has a molecular weight of 170.23 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-fluoro-4-methylpenta-1,3-dienoxy]methylcyclopropane is sourced from PubChem (CID 134559078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).