1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene

C16H13Cl4F — CID 79444036

IUPAC1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene
SMILESFc1cccc(C(CCl)(CCl)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H13Cl4F/c17-9-16(10-18,12-2-1-3-13(21)7-12)8-11-4-5-14(19)15(20)6-11/h1-7H,8-10H2
InChIKeyLTIDAWDVGWNQSO-UHFFFAOYSA-N
MW366.09 g/mol
LogP6.09
Rot. Bonds5

About 1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene

1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene (PubChem CID 79444036) has the molecular formula C16H13Cl4F and a molecular weight of 366.09 g/mol. Its IUPAC name is 1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene
PubChem CID79444036
Molecular FormulaC16H13Cl4F
Molecular Weight366.09 g/mol
Exact Mass363.98
IUPAC Name1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene
SMILESFc1cccc(C(CCl)(CCl)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H13Cl4F/c17-9-16(10-18,12-2-1-3-13(21)7-12)8-11-4-5-14(19)15(20)6-11/h1-7H,8-10H2
InChIKeyLTIDAWDVGWNQSO-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.09
LogP ≤ 56.09
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

1-(2-benzyl-1,3-dichloropropan-2-yl)-3-fluorobenzene
CID 79453237
1-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-3-methylbenzene
CID 79453748
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 55096491
1-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-2-methylbenzene
CID 79453063
2-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376123
1-chloro-3-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]benzene
CID 79453395
1-[1-chloro-2-(chloromethyl)octan-2-yl]-3-fluorobenzene
CID 79453317
2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507025
2-(aminomethyl)-3-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507128
1-bromo-3-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]benzene
CID 79453905
2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523051
2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 107310874

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene?
The IUPAC name of 1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene (CID 79444036) is 1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene is Fc1cccc(C(CCl)(CCl)Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene?
The InChIKey is LTIDAWDVGWNQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl4F/c17-9-16(10-18,12-2-1-3-13(21)7-12)8-11-4-5-14(19)15(20)6-11/h1-7H,8-10H2.
What are the key properties of 1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene?
1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene has a molecular weight of 366.09 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene is sourced from PubChem (CID 79444036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).