4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene

C12H15Cl2F — CID 103051283

IUPAC4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
SMILESCCCC(CCl)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H15Cl2F/c1-2-3-9(8-13)6-10-7-11(14)4-5-12(10)15/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyPIXYKBJSYWQJEM-UHFFFAOYSA-N
MW249.16 g/mol
LogP4.68
Rot. Bonds5

About 4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene

4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene (PubChem CID 103051283) has the molecular formula C12H15Cl2F and a molecular weight of 249.16 g/mol. Its IUPAC name is 4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene.

Molecular Properties

Compound Name4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
PubChem CID103051283
Molecular FormulaC12H15Cl2F
Molecular Weight249.16 g/mol
Exact Mass248.05
IUPAC Name4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
SMILESCCCC(CCl)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H15Cl2F/c1-2-3-9(8-13)6-10-7-11(14)4-5-12(10)15/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyPIXYKBJSYWQJEM-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 54.68
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-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
CID 66035206
4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene
CID 82934974
2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 103049601
1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090
1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 103049120
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene
CID 66034318
diethyl 2-[(5-chloro-2-fluorophenyl)methyl]propanedioate
CID 15707363
1-(5-chloro-2-fluorophenyl)octan-2-ylhydrazine
CID 103053822
1-(5-chloro-2-fluorophenyl)decan-2-ylhydrazine
CID 103053761
4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine
CID 103052162
ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate
CID 83197938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene?
The IUPAC name of 4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene (CID 103051283) is 4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene.
What is the SMILES notation for 4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene?
The canonical SMILES for 4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene is CCCC(CCl)Cc1cc(Cl)ccc1F.
What is the InChIKey of 4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene?
The InChIKey is PIXYKBJSYWQJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2F/c1-2-3-9(8-13)6-10-7-11(14)4-5-12(10)15/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene?
4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene has a molecular weight of 249.16 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene is sourced from PubChem (CID 103051283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).