(2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate

C10H5Cl2F5O2 — CID 91723367

IUPAC(2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCc1c(Cl)cccc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5Cl2F5O2/c11-6-2-1-3-7(12)5(6)4-19-8(18)9(13,14)10(15,16)17/h1-3H,4H2
InChIKeyJSZCNHYTACHJIZ-UHFFFAOYSA-N
MW323.04 g/mol
LogP4.23
Rot. Bonds3

About (2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate

(2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91723367) has the molecular formula C10H5Cl2F5O2 and a molecular weight of 323.04 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91723367
Molecular FormulaC10H5Cl2F5O2
Molecular Weight323.04 g/mol
Exact Mass321.96
IUPAC Name(2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCc1c(Cl)cccc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5Cl2F5O2/c11-6-2-1-3-7(12)5(6)4-19-8(18)9(13,14)10(15,16)17/h1-3H,4H2
InChIKeyJSZCNHYTACHJIZ-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.04
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate (CID 91723367) is (2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate is O=C(OCc1c(Cl)cccc1Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is JSZCNHYTACHJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F5O2/c11-6-2-1-3-7(12)5(6)4-19-8(18)9(13,14)10(15,16)17/h1-3H,4H2.
What are the key properties of (2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate?
(2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 323.04 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91723367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).