1-(2,2-dichlorocyclopropyl)-4-fluorobenzene

C9H7Cl2F — CID 15274465

IUPAC1-(2,2-dichlorocyclopropyl)-4-fluorobenzene
SMILESFc1ccc(C2CC2(Cl)Cl)cc1
InChIInChI=1S/C9H7Cl2F/c10-9(11)5-8(9)6-1-3-7(12)4-2-6/h1-4,8H,5H2
InChIKeyMRZZXYSXXKJREH-UHFFFAOYSA-N
MW205.06 g/mol
LogP3.49
Rot. Bonds1

About 1-(2,2-dichlorocyclopropyl)-4-fluorobenzene

1-(2,2-dichlorocyclopropyl)-4-fluorobenzene (PubChem CID 15274465) has the molecular formula C9H7Cl2F and a molecular weight of 205.06 g/mol. Its IUPAC name is 1-(2,2-dichlorocyclopropyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(2,2-dichlorocyclopropyl)-4-fluorobenzene
PubChem CID15274465
Molecular FormulaC9H7Cl2F
Molecular Weight205.06 g/mol
Exact Mass203.99
IUPAC Name1-(2,2-dichlorocyclopropyl)-4-fluorobenzene
SMILESFc1ccc(C2CC2(Cl)Cl)cc1
InChIInChI=1S/C9H7Cl2F/c10-9(11)5-8(9)6-1-3-7(12)4-2-6/h1-4,8H,5H2
InChIKeyMRZZXYSXXKJREH-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichlorocyclopropyl)-4-fluorobenzene?
The IUPAC name of 1-(2,2-dichlorocyclopropyl)-4-fluorobenzene (CID 15274465) is 1-(2,2-dichlorocyclopropyl)-4-fluorobenzene.
What is the SMILES notation for 1-(2,2-dichlorocyclopropyl)-4-fluorobenzene?
The canonical SMILES for 1-(2,2-dichlorocyclopropyl)-4-fluorobenzene is Fc1ccc(C2CC2(Cl)Cl)cc1.
What is the InChIKey of 1-(2,2-dichlorocyclopropyl)-4-fluorobenzene?
The InChIKey is MRZZXYSXXKJREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F/c10-9(11)5-8(9)6-1-3-7(12)4-2-6/h1-4,8H,5H2.
What are the key properties of 1-(2,2-dichlorocyclopropyl)-4-fluorobenzene?
1-(2,2-dichlorocyclopropyl)-4-fluorobenzene has a molecular weight of 205.06 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichlorocyclopropyl)-4-fluorobenzene is sourced from PubChem (CID 15274465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).