2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate

C16H19FO2 — CID 89474733

IUPAC2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCc2cccc(F)c21
InChIInChI=1S/C16H19FO2/c1-10(2)15(18)19-16(3,4)12-9-8-11-6-5-7-13(17)14(11)12/h5-7,12H,1,8-9H2,2-4H3
InChIKeyPKLMXHZWVRNGRZ-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.75
Rot. Bonds3

About 2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate

2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 89474733) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate
PubChem CID89474733
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCc2cccc(F)c21
InChIInChI=1S/C16H19FO2/c1-10(2)15(18)19-16(3,4)12-9-8-11-6-5-7-13(17)14(11)12/h5-7,12H,1,8-9H2,2-4H3
InChIKeyPKLMXHZWVRNGRZ-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.75
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-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate (CID 89474733) is 2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C1CCc2cccc(F)c21.
What is the InChIKey of 2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is PKLMXHZWVRNGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c1-10(2)15(18)19-16(3,4)12-9-8-11-6-5-7-13(17)14(11)12/h5-7,12H,1,8-9H2,2-4H3.
What are the key properties of 2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate?
2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 262.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 89474733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).