(3,5-difluorophenyl) prop-2-enyl carbonate

C10H8F2O3 — CID 91691289

IUPAC(3,5-difluorophenyl) prop-2-enyl carbonate
SMILESC=CCOC(=O)Oc1cc(F)cc(F)c1
InChIInChI=1S/C10H8F2O3/c1-2-3-14-10(13)15-9-5-7(11)4-8(12)6-9/h2,4-6H,1,3H2
InChIKeySJMUAEDTGGWNEF-UHFFFAOYSA-N
MW214.17 g/mol
LogP2.67
Rot. Bonds3

About (3,5-difluorophenyl) prop-2-enyl carbonate

(3,5-difluorophenyl) prop-2-enyl carbonate (PubChem CID 91691289) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is (3,5-difluorophenyl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(3,5-difluorophenyl) prop-2-enyl carbonate
PubChem CID91691289
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name(3,5-difluorophenyl) prop-2-enyl carbonate
SMILESC=CCOC(=O)Oc1cc(F)cc(F)c1
InChIInChI=1S/C10H8F2O3/c1-2-3-14-10(13)15-9-5-7(11)4-8(12)6-9/h2,4-6H,1,3H2
InChIKeySJMUAEDTGGWNEF-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl) prop-2-enyl carbonate?
The IUPAC name of (3,5-difluorophenyl) prop-2-enyl carbonate (CID 91691289) is (3,5-difluorophenyl) prop-2-enyl carbonate.
What is the SMILES notation for (3,5-difluorophenyl) prop-2-enyl carbonate?
The canonical SMILES for (3,5-difluorophenyl) prop-2-enyl carbonate is C=CCOC(=O)Oc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl) prop-2-enyl carbonate?
The InChIKey is SJMUAEDTGGWNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c1-2-3-14-10(13)15-9-5-7(11)4-8(12)6-9/h2,4-6H,1,3H2.
What are the key properties of (3,5-difluorophenyl) prop-2-enyl carbonate?
(3,5-difluorophenyl) prop-2-enyl carbonate has a molecular weight of 214.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl) prop-2-enyl carbonate is sourced from PubChem (CID 91691289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).