(3,5-difluorophenyl) 2-methylpropyl carbonate

C11H12F2O3 — CID 67161652

IUPAC(3,5-difluorophenyl) 2-methylpropyl carbonate
SMILESCC(C)COC(=O)Oc1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2O3/c1-7(2)6-15-11(14)16-10-4-8(12)3-9(13)5-10/h3-5,7H,6H2,1-2H3
InChIKeyZMJNKEALKFWQLQ-UHFFFAOYSA-N
MW230.21 g/mol
LogP3.14
Rot. Bonds3

About (3,5-difluorophenyl) 2-methylpropyl carbonate

(3,5-difluorophenyl) 2-methylpropyl carbonate (PubChem CID 67161652) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is (3,5-difluorophenyl) 2-methylpropyl carbonate.

Molecular Properties

Compound Name(3,5-difluorophenyl) 2-methylpropyl carbonate
PubChem CID67161652
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name(3,5-difluorophenyl) 2-methylpropyl carbonate
SMILESCC(C)COC(=O)Oc1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2O3/c1-7(2)6-15-11(14)16-10-4-8(12)3-9(13)5-10/h3-5,7H,6H2,1-2H3
InChIKeyZMJNKEALKFWQLQ-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl) 2-methylpropyl carbonate?
The IUPAC name of (3,5-difluorophenyl) 2-methylpropyl carbonate (CID 67161652) is (3,5-difluorophenyl) 2-methylpropyl carbonate.
What is the SMILES notation for (3,5-difluorophenyl) 2-methylpropyl carbonate?
The canonical SMILES for (3,5-difluorophenyl) 2-methylpropyl carbonate is CC(C)COC(=O)Oc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl) 2-methylpropyl carbonate?
The InChIKey is ZMJNKEALKFWQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-7(2)6-15-11(14)16-10-4-8(12)3-9(13)5-10/h3-5,7H,6H2,1-2H3.
What are the key properties of (3,5-difluorophenyl) 2-methylpropyl carbonate?
(3,5-difluorophenyl) 2-methylpropyl carbonate has a molecular weight of 230.21 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl) 2-methylpropyl carbonate is sourced from PubChem (CID 67161652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).