fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate

C10H15FO4 — CID 153299735

IUPACfluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate
SMILESC=C(COC1CCCCO1)C(=O)OCF
InChIInChI=1S/C10H15FO4/c1-8(10(12)15-7-11)6-14-9-4-2-3-5-13-9/h9H,1-7H2
InChIKeyKIEPXJCRYQIKCG-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.56
Rot. Bonds5

About fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate

fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate (PubChem CID 153299735) has the molecular formula C10H15FO4 and a molecular weight of 218.22 g/mol. Its IUPAC name is fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate.

Molecular Properties

Compound Namefluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate
PubChem CID153299735
Molecular FormulaC10H15FO4
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Namefluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate
SMILESC=C(COC1CCCCO1)C(=O)OCF
InChIInChI=1S/C10H15FO4/c1-8(10(12)15-7-11)6-14-9-4-2-3-5-13-9/h9H,1-7H2
InChIKeyKIEPXJCRYQIKCG-UHFFFAOYSA-N
XLogP1.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate?
The IUPAC name of fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate (CID 153299735) is fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate.
What is the SMILES notation for fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate?
The canonical SMILES for fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate is C=C(COC1CCCCO1)C(=O)OCF.
What is the InChIKey of fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate?
The InChIKey is KIEPXJCRYQIKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO4/c1-8(10(12)15-7-11)6-14-9-4-2-3-5-13-9/h9H,1-7H2.
What are the key properties of fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate?
fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate has a molecular weight of 218.22 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl 2-(oxan-2-yloxymethyl)prop-2-enoate is sourced from PubChem (CID 153299735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).