2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene

C15H15FO — CID 134907612

IUPAC2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene
SMILESCCOC/C(F)=C\c1ccc2ccccc2c1
InChIInChI=1S/C15H15FO/c1-2-17-11-15(16)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-10H,2,11H2,1H3/b15-10+
InChIKeyHNRKSOMFDNYIEZ-XNTDXEJSSA-N
MW230.28 g/mol
LogP4.19
Rot. Bonds4

About 2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene

2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene (PubChem CID 134907612) has the molecular formula C15H15FO and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene
PubChem CID134907612
Molecular FormulaC15H15FO
Molecular Weight230.28 g/mol
Exact Mass230.11
IUPAC Name2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene
SMILESCCOC/C(F)=C\c1ccc2ccccc2c1
InChIInChI=1S/C15H15FO/c1-2-17-11-15(16)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-10H,2,11H2,1H3/b15-10+
InChIKeyHNRKSOMFDNYIEZ-XNTDXEJSSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene?
The IUPAC name of 2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene (CID 134907612) is 2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene.
What is the SMILES notation for 2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene?
The canonical SMILES for 2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene is CCOC/C(F)=C\c1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene?
The InChIKey is HNRKSOMFDNYIEZ-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H15FO/c1-2-17-11-15(16)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-10H,2,11H2,1H3/b15-10+.
What are the key properties of 2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene?
2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene has a molecular weight of 230.28 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene is sourced from PubChem (CID 134907612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).