1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene

C15H9F7S — CID 15655347

IUPAC1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene
SMILESFC(F)(F)C(F)(F)C(F)(F)Sc1ccccc1-c1ccccc1
InChIInChI=1S/C15H9F7S/c16-13(17,14(18,19)20)15(21,22)23-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyCAXRBWODZQAPBL-UHFFFAOYSA-N
MW354.29 g/mol
LogP6.24
Rot. Bonds4

About 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene

1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene (PubChem CID 15655347) has the molecular formula C15H9F7S and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene
PubChem CID15655347
Molecular FormulaC15H9F7S
Molecular Weight354.29 g/mol
Exact Mass354.03
IUPAC Name1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene
SMILESFC(F)(F)C(F)(F)C(F)(F)Sc1ccccc1-c1ccccc1
InChIInChI=1S/C15H9F7S/c16-13(17,14(18,19)20)15(21,22)23-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyCAXRBWODZQAPBL-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.29
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene?
The IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene (CID 15655347) is 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene.
What is the SMILES notation for 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene?
The canonical SMILES for 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene is FC(F)(F)C(F)(F)C(F)(F)Sc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene?
The InChIKey is CAXRBWODZQAPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F7S/c16-13(17,14(18,19)20)15(21,22)23-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene?
1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene has a molecular weight of 354.29 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene is sourced from PubChem (CID 15655347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).