2,4-bis(chloromethyl)-1-fluorobenzene

C8H7Cl2F — CID 165357761

IUPAC2,4-bis(chloromethyl)-1-fluorobenzene
SMILESFc1ccc(CCl)cc1CCl
InChIInChI=1S/C8H7Cl2F/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3H,4-5H2
InChIKeyDGZBPHRQRKYFMC-UHFFFAOYSA-N
MW193.05 g/mol
LogP3.30
Rot. Bonds2

About 2,4-bis(chloromethyl)-1-fluorobenzene

2,4-bis(chloromethyl)-1-fluorobenzene (PubChem CID 165357761) has the molecular formula C8H7Cl2F and a molecular weight of 193.05 g/mol. Its IUPAC name is 2,4-bis(chloromethyl)-1-fluorobenzene.

Molecular Properties

Compound Name2,4-bis(chloromethyl)-1-fluorobenzene
PubChem CID165357761
Molecular FormulaC8H7Cl2F
Molecular Weight193.05 g/mol
Exact Mass191.99
IUPAC Name2,4-bis(chloromethyl)-1-fluorobenzene
SMILESFc1ccc(CCl)cc1CCl
InChIInChI=1S/C8H7Cl2F/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3H,4-5H2
InChIKeyDGZBPHRQRKYFMC-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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

4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene
CID 82119035
5-(chloromethyl)-2-fluorobenzoic acid
CID 112692924
1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene
CID 134629936
1,4-bis(chloromethyl)-2-iodobenzene
CID 134821742
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol
CID 58348907
4-(chloromethyl)-2-fluorobenzaldehyde
CID 91032796
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
2,4-bis(chloromethyl)-1-isocyanatobenzene
CID 57206298
4-(chloromethyl)-2-fluorobenzenesulfonyl fluoride
CID 165465640
4-(chloromethyl)-2-fluoro-N,N-dimethylaniline;hydrochloride
CID 22072566
1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene
CID 82119039

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(chloromethyl)-1-fluorobenzene?
The IUPAC name of 2,4-bis(chloromethyl)-1-fluorobenzene (CID 165357761) is 2,4-bis(chloromethyl)-1-fluorobenzene.
What is the SMILES notation for 2,4-bis(chloromethyl)-1-fluorobenzene?
The canonical SMILES for 2,4-bis(chloromethyl)-1-fluorobenzene is Fc1ccc(CCl)cc1CCl.
What is the InChIKey of 2,4-bis(chloromethyl)-1-fluorobenzene?
The InChIKey is DGZBPHRQRKYFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3H,4-5H2.
What are the key properties of 2,4-bis(chloromethyl)-1-fluorobenzene?
2,4-bis(chloromethyl)-1-fluorobenzene has a molecular weight of 193.05 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(chloromethyl)-1-fluorobenzene is sourced from PubChem (CID 165357761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).