chloro formate;fluorobenzene

C7H6ClFO2 — CID 68615641

IUPACchloro formate;fluorobenzene
SMILESFc1ccccc1.O=COCl
InChIInChI=1S/C6H5F.CHClO2/c7-6-4-2-1-3-5-6;2-4-1-3/h1-5H;1H
InChIKeySSAHDXBHFXWMMK-UHFFFAOYSA-N
MW176.57 g/mol
LogP2.14
Rot. Bonds1

About chloro formate;fluorobenzene

chloro formate;fluorobenzene (PubChem CID 68615641) has the molecular formula C7H6ClFO2 and a molecular weight of 176.57 g/mol. Its IUPAC name is chloro formate;fluorobenzene.

Molecular Properties

Compound Namechloro formate;fluorobenzene
PubChem CID68615641
Molecular FormulaC7H6ClFO2
Molecular Weight176.57 g/mol
Exact Mass176.00
IUPAC Namechloro formate;fluorobenzene
SMILESFc1ccccc1.O=COCl
InChIInChI=1S/C6H5F.CHClO2/c7-6-4-2-1-3-5-6;2-4-1-3/h1-5H;1H
InChIKeySSAHDXBHFXWMMK-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.57
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro formate;fluorobenzene?
The IUPAC name of chloro formate;fluorobenzene (CID 68615641) is chloro formate;fluorobenzene.
What is the SMILES notation for chloro formate;fluorobenzene?
The canonical SMILES for chloro formate;fluorobenzene is Fc1ccccc1.O=COCl.
What is the InChIKey of chloro formate;fluorobenzene?
The InChIKey is SSAHDXBHFXWMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.CHClO2/c7-6-4-2-1-3-5-6;2-4-1-3/h1-5H;1H.
What are the key properties of chloro formate;fluorobenzene?
chloro formate;fluorobenzene has a molecular weight of 176.57 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro formate;fluorobenzene is sourced from PubChem (CID 68615641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).