2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate

C17H21FO2 — CID 89474755

IUPAC2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCCc2cccc(F)c21
InChIInChI=1S/C17H21FO2/c1-11(2)16(19)20-17(3,4)13-9-5-7-12-8-6-10-14(18)15(12)13/h6,8,10,13H,1,5,7,9H2,2-4H3
InChIKeyNECHYIRBJFJJJO-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.14
Rot. Bonds3

About 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate

2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 89474755) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate
PubChem CID89474755
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCCc2cccc(F)c21
InChIInChI=1S/C17H21FO2/c1-11(2)16(19)20-17(3,4)13-9-5-7-12-8-6-10-14(18)15(12)13/h6,8,10,13H,1,5,7,9H2,2-4H3
InChIKeyNECHYIRBJFJJJO-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.14
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 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate (CID 89474755) is 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C1CCCc2cccc(F)c21.
What is the InChIKey of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is NECHYIRBJFJJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO2/c1-11(2)16(19)20-17(3,4)13-9-5-7-12-8-6-10-14(18)15(12)13/h6,8,10,13H,1,5,7,9H2,2-4H3.
What are the key properties of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate?
2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 276.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 89474755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).