(6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate

C15H17FO2 — CID 89475138

IUPAC(6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCCc2cc(F)ccc21
InChIInChI=1S/C15H17FO2/c1-10(2)14(17)18-15(3)8-4-5-11-9-12(16)6-7-13(11)15/h6-7,9H,1,4-5,8H2,2-3H3
InChIKeyRFKAIAXCEUAHJL-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.50
Rot. Bonds2

About (6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate

(6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate (PubChem CID 89475138) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is (6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
PubChem CID89475138
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name(6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCCc2cc(F)ccc21
InChIInChI=1S/C15H17FO2/c1-10(2)14(17)18-15(3)8-4-5-11-9-12(16)6-7-13(11)15/h6-7,9H,1,4-5,8H2,2-3H3
InChIKeyRFKAIAXCEUAHJL-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate (CID 89475138) is (6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CCCc2cc(F)ccc21.
What is the InChIKey of (6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate?
The InChIKey is RFKAIAXCEUAHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-10(2)14(17)18-15(3)8-4-5-11-9-12(16)6-7-13(11)15/h6-7,9H,1,4-5,8H2,2-3H3.
What are the key properties of (6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate?
(6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate has a molecular weight of 248.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 89475138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).