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

C9H5Cl4F — CID 138703094

IUPAC1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene
SMILESFc1cc(C2CC2(Cl)Cl)cc(Cl)c1Cl
InChIInChI=1S/C9H5Cl4F/c10-6-1-4(2-7(14)8(6)11)5-3-9(5,12)13/h1-2,5H,3H2
InChIKeyBEQWOCLFGGEHQA-UHFFFAOYSA-N
MW273.95 g/mol
LogP4.79
Rot. Bonds1

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

1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene (PubChem CID 138703094) has the molecular formula C9H5Cl4F and a molecular weight of 273.95 g/mol. Its IUPAC name is 1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene.

Molecular Properties

Compound Name1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene
PubChem CID138703094
Molecular FormulaC9H5Cl4F
Molecular Weight273.95 g/mol
Exact Mass271.91
IUPAC Name1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene
SMILESFc1cc(C2CC2(Cl)Cl)cc(Cl)c1Cl
InChIInChI=1S/C9H5Cl4F/c10-6-1-4(2-7(14)8(6)11)5-3-9(5,12)13/h1-2,5H,3H2
InChIKeyBEQWOCLFGGEHQA-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.95
LogP ≤ 54.79
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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Related Compounds

1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene
CID 145170378
2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene
CID 161444513
1,4-bis(2,2-dichlorocyclopropyl)benzene
CID 15253917
3-[(1R)-2,2-dichlorocyclopropyl]benzenethiol
CID 124636072
1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene
CID 166607377
1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 160530349
(1S)-1-(3,4-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 66517409
1-(3,4-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 77131117
3,4-dichloro-5-fluorobenzoic acid
CID 50997844
CID 177016278
CID 177016278
3-bromo-1,2-dichloro-4,5-difluorobenzene
CID 51000174
bis(4-chloro-3,5-difluorophenyl)iodanium
CID 87391878

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene?
The IUPAC name of 1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene (CID 138703094) is 1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene.
What is the SMILES notation for 1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene?
The canonical SMILES for 1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene is Fc1cc(C2CC2(Cl)Cl)cc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene?
The InChIKey is BEQWOCLFGGEHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl4F/c10-6-1-4(2-7(14)8(6)11)5-3-9(5,12)13/h1-2,5H,3H2.
What are the key properties of 1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene?
1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene has a molecular weight of 273.95 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-5-(2,2-dichlorocyclopropyl)-3-fluorobenzene is sourced from PubChem (CID 138703094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).