1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene

C16H15ClF2 — CID 66036753

IUPAC1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene
SMILESFc1cccc(CC(CCl)Cc2ccccc2)c1F
InChIInChI=1S/C16H15ClF2/c17-11-13(9-12-5-2-1-3-6-12)10-14-7-4-8-15(18)16(14)19/h1-8,13H,9-11H2
InChIKeyWBULUMTVCDBLRD-UHFFFAOYSA-N
MW280.75 g/mol
LogP4.61
Rot. Bonds5

About 1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene

1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene (PubChem CID 66036753) has the molecular formula C16H15ClF2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene
PubChem CID66036753
Molecular FormulaC16H15ClF2
Molecular Weight280.75 g/mol
Exact Mass280.08
IUPAC Name1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene
SMILESFc1cccc(CC(CCl)Cc2ccccc2)c1F
InChIInChI=1S/C16H15ClF2/c17-11-13(9-12-5-2-1-3-6-12)10-14-7-4-8-15(18)16(14)19/h1-8,13H,9-11H2
InChIKeyWBULUMTVCDBLRD-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 54.61
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-benzyl-3-(2,3-difluorophenyl)propan-1-amine
CID 55083934
1-[2-(chloromethyl)butyl]-2,3-difluorobenzene
CID 66036130
1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene
CID 66033899
1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
CID 102863748
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methylbenzene
CID 66034591
1-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2,3-difluorobenzene
CID 66042525
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
1,2-dichloro-3-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]benzene
CID 107310776
2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene
CID 66033709
1-(4-chlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 62601232
1-(2-benzyl-3-chloropropyl)-3-(trifluoromethyl)benzene
CID 66033607

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene?
The IUPAC name of 1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene (CID 66036753) is 1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene is Fc1cccc(CC(CCl)Cc2ccccc2)c1F.
What is the InChIKey of 1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene?
The InChIKey is WBULUMTVCDBLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2/c17-11-13(9-12-5-2-1-3-6-12)10-14-7-4-8-15(18)16(14)19/h1-8,13H,9-11H2.
What are the key properties of 1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene?
1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene has a molecular weight of 280.75 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-3-chloropropyl)-2,3-difluorobenzene is sourced from PubChem (CID 66036753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).