1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane

C10H15F5O — CID 175759768

IUPAC1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane
SMILESCCCCCCCOC(F)=C(F)C(F)(F)F
InChIInChI=1S/C10H15F5O/c1-2-3-4-5-6-7-16-9(12)8(11)10(13,14)15/h2-7H2,1H3
InChIKeyYQUHJMKPIZMRQM-UHFFFAOYSA-N
MW246.22 g/mol
LogP4.64
Rot. Bonds7

About 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane

1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane (PubChem CID 175759768) has the molecular formula C10H15F5O and a molecular weight of 246.22 g/mol. Its IUPAC name is 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane.

Molecular Properties

Compound Name1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane
PubChem CID175759768
Molecular FormulaC10H15F5O
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC Name1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane
SMILESCCCCCCCOC(F)=C(F)C(F)(F)F
InChIInChI=1S/C10H15F5O/c1-2-3-4-5-6-7-16-9(12)8(11)10(13,14)15/h2-7H2,1H3
InChIKeyYQUHJMKPIZMRQM-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 54.64
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 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane?
The IUPAC name of 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane (CID 175759768) is 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane.
What is the SMILES notation for 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane?
The canonical SMILES for 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane is CCCCCCCOC(F)=C(F)C(F)(F)F.
What is the InChIKey of 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane?
The InChIKey is YQUHJMKPIZMRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5O/c1-2-3-4-5-6-7-16-9(12)8(11)10(13,14)15/h2-7H2,1H3.
What are the key properties of 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane?
1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane has a molecular weight of 246.22 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)heptane is sourced from PubChem (CID 175759768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).