(4-chloro-2,3-difluorophenyl) hypochlorite

C6H2Cl2F2O — CID 175109316

IUPAC(4-chloro-2,3-difluorophenyl) hypochlorite
SMILESFc1c(Cl)ccc(OCl)c1F
InChIInChI=1S/C6H2Cl2F2O/c7-3-1-2-4(11-8)6(10)5(3)9/h1-2H
InChIKeyDEQQKVYLALGJJF-UHFFFAOYSA-N
MW198.98 g/mol
LogP3.15
Rot. Bonds1

About (4-chloro-2,3-difluorophenyl) hypochlorite

(4-chloro-2,3-difluorophenyl) hypochlorite (PubChem CID 175109316) has the molecular formula C6H2Cl2F2O and a molecular weight of 198.98 g/mol. Its IUPAC name is (4-chloro-2,3-difluorophenyl) hypochlorite.

Molecular Properties

Compound Name(4-chloro-2,3-difluorophenyl) hypochlorite
PubChem CID175109316
Molecular FormulaC6H2Cl2F2O
Molecular Weight198.98 g/mol
Exact Mass197.95
IUPAC Name(4-chloro-2,3-difluorophenyl) hypochlorite
SMILESFc1c(Cl)ccc(OCl)c1F
InChIInChI=1S/C6H2Cl2F2O/c7-3-1-2-4(11-8)6(10)5(3)9/h1-2H
InChIKeyDEQQKVYLALGJJF-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.98
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,3-difluorophenyl) hypochlorite?
The IUPAC name of (4-chloro-2,3-difluorophenyl) hypochlorite (CID 175109316) is (4-chloro-2,3-difluorophenyl) hypochlorite.
What is the SMILES notation for (4-chloro-2,3-difluorophenyl) hypochlorite?
The canonical SMILES for (4-chloro-2,3-difluorophenyl) hypochlorite is Fc1c(Cl)ccc(OCl)c1F.
What is the InChIKey of (4-chloro-2,3-difluorophenyl) hypochlorite?
The InChIKey is DEQQKVYLALGJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2O/c7-3-1-2-4(11-8)6(10)5(3)9/h1-2H.
What are the key properties of (4-chloro-2,3-difluorophenyl) hypochlorite?
(4-chloro-2,3-difluorophenyl) hypochlorite has a molecular weight of 198.98 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,3-difluorophenyl) hypochlorite is sourced from PubChem (CID 175109316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).