1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene

C9H7Cl2FO — CID 130057387

IUPAC1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene
SMILESFc1c(Cl)cc(OC2CC2)cc1Cl
InChIInChI=1S/C9H7Cl2FO/c10-7-3-6(13-5-1-2-5)4-8(11)9(7)12/h3-5H,1-2H2
InChIKeyGZVWXYMICGKTTM-UHFFFAOYSA-N
MW221.06 g/mol
LogP3.67
Rot. Bonds2

About 1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene

1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene (PubChem CID 130057387) has the molecular formula C9H7Cl2FO and a molecular weight of 221.06 g/mol. Its IUPAC name is 1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene.

Molecular Properties

Compound Name1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene
PubChem CID130057387
Molecular FormulaC9H7Cl2FO
Molecular Weight221.06 g/mol
Exact Mass219.99
IUPAC Name1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene
SMILESFc1c(Cl)cc(OC2CC2)cc1Cl
InChIInChI=1S/C9H7Cl2FO/c10-7-3-6(13-5-1-2-5)4-8(11)9(7)12/h3-5H,1-2H2
InChIKeyGZVWXYMICGKTTM-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene?
The IUPAC name of 1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene (CID 130057387) is 1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene.
What is the SMILES notation for 1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene?
The canonical SMILES for 1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene is Fc1c(Cl)cc(OC2CC2)cc1Cl.
What is the InChIKey of 1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene?
The InChIKey is GZVWXYMICGKTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FO/c10-7-3-6(13-5-1-2-5)4-8(11)9(7)12/h3-5H,1-2H2.
What are the key properties of 1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene?
1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene has a molecular weight of 221.06 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-cyclopropyloxy-2-fluorobenzene is sourced from PubChem (CID 130057387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).