2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride

C13H4ClF5O — CID 87415927

IUPAC2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
SMILESO=C(Cl)c1ccccc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H4ClF5O/c14-13(20)6-4-2-1-3-5(6)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H
InChIKeyLDRVNBGBCIQIOX-UHFFFAOYSA-N
MW306.62 g/mol
LogP4.43
Rot. Bonds2

About 2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride

2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride (PubChem CID 87415927) has the molecular formula C13H4ClF5O and a molecular weight of 306.62 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
PubChem CID87415927
Molecular FormulaC13H4ClF5O
Molecular Weight306.62 g/mol
Exact Mass305.99
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
SMILESO=C(Cl)c1ccccc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H4ClF5O/c14-13(20)6-4-2-1-3-5(6)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H
InChIKeyLDRVNBGBCIQIOX-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.62
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride (CID 87415927) is 2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride is O=C(Cl)c1ccccc1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride?
The InChIKey is LDRVNBGBCIQIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4ClF5O/c14-13(20)6-4-2-1-3-5(6)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride?
2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride has a molecular weight of 306.62 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride is sourced from PubChem (CID 87415927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).