(3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate

C7H11FO3 — CID 54449778

IUPAC(3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CF
InChIInChI=1S/C7H11FO3/c1-5(2)7(10)11-4-6(9)3-8/h6,9H,1,3-4H2,2H3
InChIKeyWUCROCZBRNUIAC-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.44
Rot. Bonds4

About (3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate

(3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate (PubChem CID 54449778) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is (3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate
PubChem CID54449778
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name(3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CF
InChIInChI=1S/C7H11FO3/c1-5(2)7(10)11-4-6(9)3-8/h6,9H,1,3-4H2,2H3
InChIKeyWUCROCZBRNUIAC-UHFFFAOYSA-N
XLogP0.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate?
The IUPAC name of (3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate (CID 54449778) is (3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)CF.
What is the InChIKey of (3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate?
The InChIKey is WUCROCZBRNUIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-5(2)7(10)11-4-6(9)3-8/h6,9H,1,3-4H2,2H3.
What are the key properties of (3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate?
(3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate has a molecular weight of 162.16 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-hydroxypropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 54449778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).