(4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate

C10H6ClF5O2 — CID 580534

IUPAC(4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCc1ccc(Cl)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6ClF5O2/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2
InChIKeyYNOUQZHJUWTECY-UHFFFAOYSA-N
MW288.60 g/mol
LogP3.58
Rot. Bonds3

About (4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate

(4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 580534) has the molecular formula C10H6ClF5O2 and a molecular weight of 288.60 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID580534
Molecular FormulaC10H6ClF5O2
Molecular Weight288.60 g/mol
Exact Mass288.00
IUPAC Name(4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCc1ccc(Cl)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6ClF5O2/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2
InChIKeyYNOUQZHJUWTECY-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.60
LogP ≤ 53.58
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 (4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of (4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate (CID 580534) is (4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for (4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for (4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate is O=C(OCc1ccc(Cl)cc1)C(F)(F)C(F)(F)F.
What is the InChIKey of (4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is YNOUQZHJUWTECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF5O2/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2.
What are the key properties of (4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate?
(4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 288.60 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 580534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).