1,2-difluoro-3-(1,1,2-trichloroethyl)benzene

C8H5Cl3F2 — CID 174854875

IUPAC1,2-difluoro-3-(1,1,2-trichloroethyl)benzene
SMILESFc1cccc(C(Cl)(Cl)CCl)c1F
InChIInChI=1S/C8H5Cl3F2/c9-4-8(10,11)5-2-1-3-6(12)7(5)13/h1-3H,4H2
InChIKeyMDABSNNYKIQCIZ-UHFFFAOYSA-N
MW245.48 g/mol
LogP3.83
Rot. Bonds2

About 1,2-difluoro-3-(1,1,2-trichloroethyl)benzene

1,2-difluoro-3-(1,1,2-trichloroethyl)benzene (PubChem CID 174854875) has the molecular formula C8H5Cl3F2 and a molecular weight of 245.48 g/mol. Its IUPAC name is 1,2-difluoro-3-(1,1,2-trichloroethyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(1,1,2-trichloroethyl)benzene
PubChem CID174854875
Molecular FormulaC8H5Cl3F2
Molecular Weight245.48 g/mol
Exact Mass243.94
IUPAC Name1,2-difluoro-3-(1,1,2-trichloroethyl)benzene
SMILESFc1cccc(C(Cl)(Cl)CCl)c1F
InChIInChI=1S/C8H5Cl3F2/c9-4-8(10,11)5-2-1-3-6(12)7(5)13/h1-3H,4H2
InChIKeyMDABSNNYKIQCIZ-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 53.83
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

Benzyl Chloride
CID 7503
Benzotrichloride
CID 7367
Benzal chloride
CID 7411
1-Chloro-2-phenylethane
CID 231496
1,2-Bis(chloromethyl)benzene
CID 11919
alpha,alpha'-Dichloro-p-xylene
CID 12171
4-Fluorobenzyl chloride
CID 9602
Xylylene dichloride
CID 22061591
3-Fluorobenzyl chloride
CID 9974
(3-Chloropropyl)benzene
CID 7706
Benzene, 1-(chloromethyl)-2-fluoro-
CID 9580
(1-Chloroethyl)benzene
CID 12648

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(1,1,2-trichloroethyl)benzene?
The IUPAC name of 1,2-difluoro-3-(1,1,2-trichloroethyl)benzene (CID 174854875) is 1,2-difluoro-3-(1,1,2-trichloroethyl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(1,1,2-trichloroethyl)benzene?
The canonical SMILES for 1,2-difluoro-3-(1,1,2-trichloroethyl)benzene is Fc1cccc(C(Cl)(Cl)CCl)c1F.
What is the InChIKey of 1,2-difluoro-3-(1,1,2-trichloroethyl)benzene?
The InChIKey is MDABSNNYKIQCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3F2/c9-4-8(10,11)5-2-1-3-6(12)7(5)13/h1-3H,4H2.
What are the key properties of 1,2-difluoro-3-(1,1,2-trichloroethyl)benzene?
1,2-difluoro-3-(1,1,2-trichloroethyl)benzene has a molecular weight of 245.48 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(1,1,2-trichloroethyl)benzene is sourced from PubChem (CID 174854875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).