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

C15H13ClF2 — CID 66033899

IUPAC1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene
SMILESFc1cccc(CC(CCl)c2ccccc2)c1F
InChIInChI=1S/C15H13ClF2/c16-10-13(11-5-2-1-3-6-11)9-12-7-4-8-14(17)15(12)18/h1-8,13H,9-10H2
InChIKeyKAALADMJRMINCC-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.53
Rot. Bonds4

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

1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene (PubChem CID 66033899) has the molecular formula C15H13ClF2 and a molecular weight of 266.72 g/mol. Its IUPAC name is 1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene
PubChem CID66033899
Molecular FormulaC15H13ClF2
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene
SMILESFc1cccc(CC(CCl)c2ccccc2)c1F
InChIInChI=1S/C15H13ClF2/c16-10-13(11-5-2-1-3-6-11)9-12-7-4-8-14(17)15(12)18/h1-8,13H,9-10H2
InChIKeyKAALADMJRMINCC-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
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-3-chloropropyl)-2,3-difluorobenzene
CID 66036753
1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene
CID 79435343
1-[2-(chloromethyl)butyl]-2,3-difluorobenzene
CID 66036130
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
CID 66043262
1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene
CID 106273769
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
1-[3-chloro-2-(2-fluorophenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795544
3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
CID 116757101
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 104845522
3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79432828

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene?
The IUPAC name of 1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene (CID 66033899) is 1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene is Fc1cccc(CC(CCl)c2ccccc2)c1F.
What is the InChIKey of 1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene?
The InChIKey is KAALADMJRMINCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2/c16-10-13(11-5-2-1-3-6-11)9-12-7-4-8-14(17)15(12)18/h1-8,13H,9-10H2.
What are the key properties of 1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene?
1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene has a molecular weight of 266.72 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene is sourced from PubChem (CID 66033899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).