1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene

C7HCl2F5 — CID 12701528

IUPAC1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(Cl)Cl)c(F)c1F
InChIInChI=1S/C7HCl2F5/c8-7(9)1-2(10)4(12)6(14)5(13)3(1)11/h7H
InChIKeyNUQVDXRFRFBTSS-UHFFFAOYSA-N
MW250.98 g/mol
LogP3.86
Rot. Bonds1

About 1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene

1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene (PubChem CID 12701528) has the molecular formula C7HCl2F5 and a molecular weight of 250.98 g/mol. Its IUPAC name is 1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene
PubChem CID12701528
Molecular FormulaC7HCl2F5
Molecular Weight250.98 g/mol
Exact Mass249.94
IUPAC Name1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(Cl)Cl)c(F)c1F
InChIInChI=1S/C7HCl2F5/c8-7(9)1-2(10)4(12)6(14)5(13)3(1)11/h7H
InChIKeyNUQVDXRFRFBTSS-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.98
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_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 1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene (CID 12701528) is 1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(C(Cl)Cl)c(F)c1F.
What is the InChIKey of 1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is NUQVDXRFRFBTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl2F5/c8-7(9)1-2(10)4(12)6(14)5(13)3(1)11/h7H.
What are the key properties of 1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene?
1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 250.98 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 12701528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).