2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene

C15H12F2O — CID 162419730

IUPAC2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene
SMILESC=CC(F)(F)OC(=C)c1ccc2ccccc2c1
InChIInChI=1S/C15H12F2O/c1-3-15(16,17)18-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h3-10H,1-2H2
InChIKeyGHJSQLOYJMFPPM-UHFFFAOYSA-N
MW246.26 g/mol
LogP4.61
Rot. Bonds4

About 2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene

2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene (PubChem CID 162419730) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene.

Molecular Properties

Compound Name2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene
PubChem CID162419730
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene
SMILESC=CC(F)(F)OC(=C)c1ccc2ccccc2c1
InChIInChI=1S/C15H12F2O/c1-3-15(16,17)18-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h3-10H,1-2H2
InChIKeyGHJSQLOYJMFPPM-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene?
The IUPAC name of 2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene (CID 162419730) is 2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene.
What is the SMILES notation for 2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene?
The canonical SMILES for 2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene is C=CC(F)(F)OC(=C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene?
The InChIKey is GHJSQLOYJMFPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-3-15(16,17)18-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h3-10H,1-2H2.
What are the key properties of 2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene?
2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene has a molecular weight of 246.26 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1-difluoroprop-2-enoxy)ethenyl]naphthalene is sourced from PubChem (CID 162419730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).