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

C8H7Cl2F — CID 126973948

IUPAC2-chloro-1-(2-chloroethyl)-3-fluorobenzene
SMILESFc1cccc(CCCl)c1Cl
InChIInChI=1S/C8H7Cl2F/c9-5-4-6-2-1-3-7(11)8(6)10/h1-3H,4-5H2
InChIKeyUUZYCHAWSLWHRB-UHFFFAOYSA-N
MW193.05 g/mol
LogP3.26
Rot. Bonds2

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

2-chloro-1-(2-chloroethyl)-3-fluorobenzene (PubChem CID 126973948) has the molecular formula C8H7Cl2F and a molecular weight of 193.05 g/mol. Its IUPAC name is 2-chloro-1-(2-chloroethyl)-3-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-(2-chloroethyl)-3-fluorobenzene
PubChem CID126973948
Molecular FormulaC8H7Cl2F
Molecular Weight193.05 g/mol
Exact Mass191.99
IUPAC Name2-chloro-1-(2-chloroethyl)-3-fluorobenzene
SMILESFc1cccc(CCCl)c1Cl
InChIInChI=1S/C8H7Cl2F/c9-5-4-6-2-1-3-7(11)8(6)10/h1-3H,4-5H2
InChIKeyUUZYCHAWSLWHRB-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.05
LogP ≤ 53.26
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

2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
(2-chloro-3-fluorophenyl)methanethiol
CID 112652262
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644
6-chloro-N-[(2-chloro-3-fluorophenyl)methyl]hexan-1-amine
CID 107845726
1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene
CID 54444470
2-chloro-1-(4-chlorohexyl)-3-fluorobenzene
CID 112654629
1-(2-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 112652607
2-chloro-1-(3-chloro-4,4-dimethylpentyl)-3-fluorobenzene
CID 112654030
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine
CID 112652633
4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 112654588
1-(2-chloro-3-fluorophenyl)hexan-3-ol
CID 112654007

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chloroethyl)-3-fluorobenzene?
The IUPAC name of 2-chloro-1-(2-chloroethyl)-3-fluorobenzene (CID 126973948) is 2-chloro-1-(2-chloroethyl)-3-fluorobenzene.
What is the SMILES notation for 2-chloro-1-(2-chloroethyl)-3-fluorobenzene?
The canonical SMILES for 2-chloro-1-(2-chloroethyl)-3-fluorobenzene is Fc1cccc(CCCl)c1Cl.
What is the InChIKey of 2-chloro-1-(2-chloroethyl)-3-fluorobenzene?
The InChIKey is UUZYCHAWSLWHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F/c9-5-4-6-2-1-3-7(11)8(6)10/h1-3H,4-5H2.
What are the key properties of 2-chloro-1-(2-chloroethyl)-3-fluorobenzene?
2-chloro-1-(2-chloroethyl)-3-fluorobenzene has a molecular weight of 193.05 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chloroethyl)-3-fluorobenzene is sourced from PubChem (CID 126973948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).