1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene

C16H14Cl3F — CID 102863748

IUPAC1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
SMILESFc1c(Cl)cccc1CC(CCl)Cc1ccccc1Cl
InChIInChI=1S/C16H14Cl3F/c17-10-11(8-12-4-1-2-6-14(12)18)9-13-5-3-7-15(19)16(13)20/h1-7,11H,8-10H2
InChIKeyQHQNDXBWUKLNMF-UHFFFAOYSA-N
MW331.65 g/mol
LogP5.77
Rot. Bonds5

About 1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene

1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene (PubChem CID 102863748) has the molecular formula C16H14Cl3F and a molecular weight of 331.65 g/mol. Its IUPAC name is 1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
PubChem CID102863748
Molecular FormulaC16H14Cl3F
Molecular Weight331.65 g/mol
Exact Mass330.01
IUPAC Name1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
SMILESFc1c(Cl)cccc1CC(CCl)Cc1ccccc1Cl
InChIInChI=1S/C16H14Cl3F/c17-10-11(8-12-4-1-2-6-14(12)18)9-13-5-3-7-15(19)16(13)20/h1-7,11H,8-10H2
InChIKeyQHQNDXBWUKLNMF-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.65
LogP ≤ 55.77
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-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 66048162
1-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
[1-(3-chloro-2-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105264393
[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
CID 106324133
1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene
CID 66036753
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 102858638
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
CID 103454687
1,2-dichloro-3-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]benzene
CID 107310776
1-[2-(chloromethyl)butyl]-2,3-difluorobenzene
CID 66036130
1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene
CID 66050569
1-(3-bromo-2-methylbutyl)-3-chloro-2-fluorobenzene
CID 102858323

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene (CID 102863748) is 1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene is Fc1c(Cl)cccc1CC(CCl)Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene?
The InChIKey is QHQNDXBWUKLNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3F/c17-10-11(8-12-4-1-2-6-14(12)18)9-13-5-3-7-15(19)16(13)20/h1-7,11H,8-10H2.
What are the key properties of 1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene?
1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene has a molecular weight of 331.65 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene is sourced from PubChem (CID 102863748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).