(E)-2-(3-fluoropropoxy)pent-2-ene

C8H15FO — CID 122533011

IUPAC(E)-2-(3-fluoropropoxy)pent-2-ene
SMILESCC/C=C(\C)OCCCF
InChIInChI=1S/C8H15FO/c1-3-5-8(2)10-7-4-6-9/h5H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyRKSKJTVDCUFFLS-VMPITWQZSA-N
MW146.20 g/mol
LogP2.68
Rot. Bonds5

About (E)-2-(3-fluoropropoxy)pent-2-ene

(E)-2-(3-fluoropropoxy)pent-2-ene (PubChem CID 122533011) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is (E)-2-(3-fluoropropoxy)pent-2-ene.

Molecular Properties

Compound Name(E)-2-(3-fluoropropoxy)pent-2-ene
PubChem CID122533011
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name(E)-2-(3-fluoropropoxy)pent-2-ene
SMILESCC/C=C(\C)OCCCF
InChIInChI=1S/C8H15FO/c1-3-5-8(2)10-7-4-6-9/h5H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyRKSKJTVDCUFFLS-VMPITWQZSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-fluoropropoxy)pent-2-ene?
The IUPAC name of (E)-2-(3-fluoropropoxy)pent-2-ene (CID 122533011) is (E)-2-(3-fluoropropoxy)pent-2-ene.
What is the SMILES notation for (E)-2-(3-fluoropropoxy)pent-2-ene?
The canonical SMILES for (E)-2-(3-fluoropropoxy)pent-2-ene is CC/C=C(\C)OCCCF.
What is the InChIKey of (E)-2-(3-fluoropropoxy)pent-2-ene?
The InChIKey is RKSKJTVDCUFFLS-VMPITWQZSA-N. The full InChI is InChI=1S/C8H15FO/c1-3-5-8(2)10-7-4-6-9/h5H,3-4,6-7H2,1-2H3/b8-5+.
What are the key properties of (E)-2-(3-fluoropropoxy)pent-2-ene?
(E)-2-(3-fluoropropoxy)pent-2-ene has a molecular weight of 146.20 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-fluoropropoxy)pent-2-ene is sourced from PubChem (CID 122533011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).