1-chloro-2-(2-chloropropyl)-3-fluorobenzene

C9H9Cl2F — CID 63016068

IUPAC1-chloro-2-(2-chloropropyl)-3-fluorobenzene
SMILESCC(Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C9H9Cl2F/c1-6(10)5-7-8(11)3-2-4-9(7)12/h2-4,6H,5H2,1H3
InChIKeyDETKMBULKBXJBP-UHFFFAOYSA-N
MW207.08 g/mol
LogP3.65
Rot. Bonds2

About 1-chloro-2-(2-chloropropyl)-3-fluorobenzene

1-chloro-2-(2-chloropropyl)-3-fluorobenzene (PubChem CID 63016068) has the molecular formula C9H9Cl2F and a molecular weight of 207.08 g/mol. Its IUPAC name is 1-chloro-2-(2-chloropropyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(2-chloropropyl)-3-fluorobenzene
PubChem CID63016068
Molecular FormulaC9H9Cl2F
Molecular Weight207.08 g/mol
Exact Mass206.01
IUPAC Name1-chloro-2-(2-chloropropyl)-3-fluorobenzene
SMILESCC(Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C9H9Cl2F/c1-6(10)5-7-8(11)3-2-4-9(7)12/h2-4,6H,5H2,1H3
InChIKeyDETKMBULKBXJBP-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.08
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
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1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
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1-chloro-3-fluoro-2-(2-isocyanatopropyl)benzene
CID 82026582
4-(2-chloro-6-fluorophenyl)-3-methylbutanethioamide
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1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
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2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
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N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-chloropropyl)-3-fluorobenzene?
The IUPAC name of 1-chloro-2-(2-chloropropyl)-3-fluorobenzene (CID 63016068) is 1-chloro-2-(2-chloropropyl)-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-(2-chloropropyl)-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-(2-chloropropyl)-3-fluorobenzene is CC(Cl)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-2-(2-chloropropyl)-3-fluorobenzene?
The InChIKey is DETKMBULKBXJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F/c1-6(10)5-7-8(11)3-2-4-9(7)12/h2-4,6H,5H2,1H3.
What are the key properties of 1-chloro-2-(2-chloropropyl)-3-fluorobenzene?
1-chloro-2-(2-chloropropyl)-3-fluorobenzene has a molecular weight of 207.08 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloropropyl)-3-fluorobenzene is sourced from PubChem (CID 63016068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).