2-chlorofluoren-1-one

C13H7ClO — CID 67723503

IUPAC2-chlorofluoren-1-one
SMILESO=C1C(Cl)=CC=C2C1=Cc1ccccc12
InChIInChI=1S/C13H7ClO/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-7H
InChIKeyXBILOROJBQKKMF-UHFFFAOYSA-N
MW214.65 g/mol
LogP3.17
Rot. Bonds

About 2-chlorofluoren-1-one

2-chlorofluoren-1-one (PubChem CID 67723503) has the molecular formula C13H7ClO and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chlorofluoren-1-one.

Molecular Properties

Compound Name2-chlorofluoren-1-one
PubChem CID67723503
Molecular FormulaC13H7ClO
Molecular Weight214.65 g/mol
Exact Mass214.02
IUPAC Name2-chlorofluoren-1-one
SMILESO=C1C(Cl)=CC=C2C1=Cc1ccccc12
InChIInChI=1S/C13H7ClO/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-7H
InChIKeyXBILOROJBQKKMF-UHFFFAOYSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chlorofluoren-1-one?
The IUPAC name of 2-chlorofluoren-1-one (CID 67723503) is 2-chlorofluoren-1-one.
What is the SMILES notation for 2-chlorofluoren-1-one?
The canonical SMILES for 2-chlorofluoren-1-one is O=C1C(Cl)=CC=C2C1=Cc1ccccc12.
What is the InChIKey of 2-chlorofluoren-1-one?
The InChIKey is XBILOROJBQKKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClO/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-7H.
What are the key properties of 2-chlorofluoren-1-one?
2-chlorofluoren-1-one has a molecular weight of 214.65 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorofluoren-1-one is sourced from PubChem (CID 67723503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).