2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene

C15H13ClF2 — CID 64506677

IUPAC2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene
SMILESFc1cccc(F)c1CCC(Cl)c1ccccc1
InChIInChI=1S/C15H13ClF2/c16-13(11-5-2-1-3-6-11)10-9-12-14(17)7-4-8-15(12)18/h1-8,13H,9-10H2
InChIKeyLOGABYNTZLHOKS-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.88
Rot. Bonds4

About 2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene

2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene (PubChem CID 64506677) has the molecular formula C15H13ClF2 and a molecular weight of 266.72 g/mol. Its IUPAC name is 2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene
PubChem CID64506677
Molecular FormulaC15H13ClF2
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene
SMILESFc1cccc(F)c1CCC(Cl)c1ccccc1
InChIInChI=1S/C15H13ClF2/c16-13(11-5-2-1-3-6-11)10-9-12-14(17)7-4-8-15(12)18/h1-8,13H,9-10H2
InChIKeyLOGABYNTZLHOKS-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 54.88
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-(4-chloro-4-phenylbutyl)-2-fluorobenzene
CID 64509582
4-(2,6-difluorophenyl)-2-phenylbutan-1-amine
CID 114935148
2-(3-chloro-4-methoxybutyl)-1,3-difluorobenzene
CID 114933132
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
1-(3-chloro-3-phenylpropyl)-2-fluoro-3-nitrobenzene
CID 107350532
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 114934436
3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400193
4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027454
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
CID 113460186
2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine
CID 65026626
3-bromo-2-(3-chloro-3-phenylpropyl)furan
CID 64507785
2-(3-chloro-3-phenylpropyl)pyrazine
CID 64508691

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene?
The IUPAC name of 2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene (CID 64506677) is 2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene.
What is the SMILES notation for 2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene?
The canonical SMILES for 2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene is Fc1cccc(F)c1CCC(Cl)c1ccccc1.
What is the InChIKey of 2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene?
The InChIKey is LOGABYNTZLHOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2/c16-13(11-5-2-1-3-6-11)10-9-12-14(17)7-4-8-15(12)18/h1-8,13H,9-10H2.
What are the key properties of 2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene?
2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene has a molecular weight of 266.72 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene is sourced from PubChem (CID 64506677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).