1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene

C10H7Cl4F — CID 134417742

IUPAC1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene
SMILESCC1C(c2cc(Cl)c(F)c(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C10H7Cl4F/c1-4-8(10(4,13)14)5-2-6(11)9(15)7(12)3-5/h2-4,8H,1H3
InChIKeyUSHKMTXPQRDXBL-UHFFFAOYSA-N
MW287.98 g/mol
LogP5.04
Rot. Bonds1

About 1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene

1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene (PubChem CID 134417742) has the molecular formula C10H7Cl4F and a molecular weight of 287.98 g/mol. Its IUPAC name is 1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene.

Molecular Properties

Compound Name1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene
PubChem CID134417742
Molecular FormulaC10H7Cl4F
Molecular Weight287.98 g/mol
Exact Mass285.93
IUPAC Name1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene
SMILESCC1C(c2cc(Cl)c(F)c(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C10H7Cl4F/c1-4-8(10(4,13)14)5-2-6(11)9(15)7(12)3-5/h2-4,8H,1H3
InChIKeyUSHKMTXPQRDXBL-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.98
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene?
The IUPAC name of 1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene (CID 134417742) is 1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene.
What is the SMILES notation for 1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene?
The canonical SMILES for 1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene is CC1C(c2cc(Cl)c(F)c(Cl)c2)C1(Cl)Cl.
What is the InChIKey of 1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene?
The InChIKey is USHKMTXPQRDXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl4F/c1-4-8(10(4,13)14)5-2-6(11)9(15)7(12)3-5/h2-4,8H,1H3.
What are the key properties of 1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene?
1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene has a molecular weight of 287.98 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(2,2-dichloro-3-methylcyclopropyl)-2-fluorobenzene is sourced from PubChem (CID 134417742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).