2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene

C16H14Cl2F2 — CID 66048162

IUPAC2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(CC(CCl)Cc2ccccc2Cl)c1
InChIInChI=1S/C16H14Cl2F2/c17-10-11(7-12-3-1-2-4-15(12)18)8-13-9-14(19)5-6-16(13)20/h1-6,9,11H,7-8,10H2
InChIKeyPVJHMMZBGLMGQA-UHFFFAOYSA-N
MW315.19 g/mol
LogP5.26
Rot. Bonds5

About 2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene

2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene (PubChem CID 66048162) has the molecular formula C16H14Cl2F2 and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene
PubChem CID66048162
Molecular FormulaC16H14Cl2F2
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(CC(CCl)Cc2ccccc2Cl)c1
InChIInChI=1S/C16H14Cl2F2/c17-10-11(7-12-3-1-2-4-15(12)18)8-13-9-14(19)5-6-16(13)20/h1-6,9,11H,7-8,10H2
InChIKeyPVJHMMZBGLMGQA-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.19
LogP ≤ 55.26
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-[2-[(2-bromophenyl)methyl]-3-chloropropyl]-1,4-difluorobenzene
CID 66048611
1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
CID 102863748
1-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 62099435
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
4-bromo-2-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]-1-fluorobenzene
CID 66049693
2-[2-[(4-bromophenyl)methyl]-3-chloropropyl]-1-chloro-4-fluorobenzene
CID 102621311
4-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-2-chloro-1-fluorobenzene
CID 103042082
1,2-dichloro-3-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]benzene
CID 107310776
2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene
CID 79453351
1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821
2-[(2-chlorophenyl)methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 114348813

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene?
The IUPAC name of 2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene (CID 66048162) is 2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene is Fc1ccc(F)c(CC(CCl)Cc2ccccc2Cl)c1.
What is the InChIKey of 2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene?
The InChIKey is PVJHMMZBGLMGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F2/c17-10-11(7-12-3-1-2-4-15(12)18)8-13-9-14(19)5-6-16(13)20/h1-6,9,11H,7-8,10H2.
What are the key properties of 2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene?
2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene has a molecular weight of 315.19 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene is sourced from PubChem (CID 66048162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).