(1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate

C16H17FO2 — CID 89475199

IUPAC(1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=CC1(OC(=O)C(=C)C)CCCc2c(F)cccc21
InChIInChI=1S/C16H17FO2/c1-4-16(19-15(18)11(2)3)10-6-7-12-13(16)8-5-9-14(12)17/h4-5,8-9H,1-2,6-7,10H2,3H3
InChIKeyOWOWYCGHBIRWHZ-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.66
Rot. Bonds3

About (1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate

(1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate (PubChem CID 89475199) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is (1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
PubChem CID89475199
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name(1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=CC1(OC(=O)C(=C)C)CCCc2c(F)cccc21
InChIInChI=1S/C16H17FO2/c1-4-16(19-15(18)11(2)3)10-6-7-12-13(16)8-5-9-14(12)17/h4-5,8-9H,1-2,6-7,10H2,3H3
InChIKeyOWOWYCGHBIRWHZ-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate (CID 89475199) is (1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate is C=CC1(OC(=O)C(=C)C)CCCc2c(F)cccc21.
What is the InChIKey of (1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate?
The InChIKey is OWOWYCGHBIRWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-4-16(19-15(18)11(2)3)10-6-7-12-13(16)8-5-9-14(12)17/h4-5,8-9H,1-2,6-7,10H2,3H3.
What are the key properties of (1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate?
(1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate has a molecular weight of 260.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 89475199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).