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

C16H13Cl4F — CID 115984651

IUPAC2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene
SMILESFc1cccc(CC(CCl)(CCl)c2cccc(Cl)c2)c1Cl
InChIInChI=1S/C16H13Cl4F/c17-9-16(10-18,12-4-2-5-13(19)7-12)8-11-3-1-6-14(21)15(11)20/h1-7H,8-10H2
InChIKeyBELPBDGFDBHQAC-UHFFFAOYSA-N
MW366.09 g/mol
LogP6.09
Rot. Bonds5

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

2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene (PubChem CID 115984651) has the molecular formula C16H13Cl4F and a molecular weight of 366.09 g/mol. Its IUPAC name is 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene
PubChem CID115984651
Molecular FormulaC16H13Cl4F
Molecular Weight366.09 g/mol
Exact Mass363.98
IUPAC Name2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene
SMILESFc1cccc(CC(CCl)(CCl)c2cccc(Cl)c2)c1Cl
InChIInChI=1S/C16H13Cl4F/c17-9-16(10-18,12-4-2-5-13(19)7-12)8-11-3-1-6-14(21)15(11)20/h1-7H,8-10H2
InChIKeyBELPBDGFDBHQAC-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-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 112652947
1-[3-chloro-2-(chloromethyl)-2-(3-methylphenyl)propyl]-2,3-difluorobenzene
CID 79444033
1-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-3-chloro-2-fluorobenzene
CID 102864006
1-(2-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propan-2-ol
CID 112652946
1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939
1-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-2-methylbenzene
CID 79453063
1-chloro-3-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]benzene
CID 79453395
1-[2,2-bis(chloromethyl)pentyl]-2-chloro-3-fluorobenzene
CID 112654957
1-(2-benzyl-1,3-dichloropropan-2-yl)-3-fluorobenzene
CID 79453237
1-chloro-3-[1-chloro-2-(chloromethyl)hexan-2-yl]benzene
CID 79453495
1-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-2,4-difluorobenzene
CID 79444930
2-chloro-1-[2-(chloromethyl)-2-methylpentyl]-3-fluorobenzene
CID 112654877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene?
The IUPAC name of 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene (CID 115984651) is 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene.
What is the SMILES notation for 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene?
The canonical SMILES for 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene is Fc1cccc(CC(CCl)(CCl)c2cccc(Cl)c2)c1Cl.
What is the InChIKey of 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene?
The InChIKey is BELPBDGFDBHQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl4F/c17-9-16(10-18,12-4-2-5-13(19)7-12)8-11-3-1-6-14(21)15(11)20/h1-7H,8-10H2.
What are the key properties of 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene?
2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene 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 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(3-chlorophenyl)propyl]-3-fluorobenzene is sourced from PubChem (CID 115984651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).