oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate

C8H9F3O3 — CID 68646997

IUPACoxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate
SMILESO=C(OC1CCCO1)C(CF)=C(F)F
InChIInChI=1S/C8H9F3O3/c9-4-5(7(10)11)8(12)14-6-2-1-3-13-6/h6H,1-4H2
InChIKeyQNDUWQFAUMMRQR-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.79
Rot. Bonds3

About oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate

oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate (PubChem CID 68646997) has the molecular formula C8H9F3O3 and a molecular weight of 210.15 g/mol. Its IUPAC name is oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate.

Molecular Properties

Compound Nameoxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate
PubChem CID68646997
Molecular FormulaC8H9F3O3
Molecular Weight210.15 g/mol
Exact Mass210.05
IUPAC Nameoxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate
SMILESO=C(OC1CCCO1)C(CF)=C(F)F
InChIInChI=1S/C8H9F3O3/c9-4-5(7(10)11)8(12)14-6-2-1-3-13-6/h6H,1-4H2
InChIKeyQNDUWQFAUMMRQR-UHFFFAOYSA-N
XLogP1.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.79
H-Bond Donors ≤ 50
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 oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate?
The IUPAC name of oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate (CID 68646997) is oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate.
What is the SMILES notation for oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate?
The canonical SMILES for oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate is O=C(OC1CCCO1)C(CF)=C(F)F.
What is the InChIKey of oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate?
The InChIKey is QNDUWQFAUMMRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O3/c9-4-5(7(10)11)8(12)14-6-2-1-3-13-6/h6H,1-4H2.
What are the key properties of oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate?
oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate has a molecular weight of 210.15 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl 3,3-difluoro-2-(fluoromethyl)prop-2-enoate is sourced from PubChem (CID 68646997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).