1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane

C15H12F6 — CID 160611657

IUPAC1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)CC(F)(F)F.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H2F6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;4-2(5,6)1-3(7,8)9/h1-10H;1H2
InChIKeyRFOJDABBDZJDRE-UHFFFAOYSA-N
MW306.25 g/mol
LogP5.85
Rot. Bonds1

About 1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane

1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane (PubChem CID 160611657) has the molecular formula C15H12F6 and a molecular weight of 306.25 g/mol. Its IUPAC name is 1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane
PubChem CID160611657
Molecular FormulaC15H12F6
Molecular Weight306.25 g/mol
Exact Mass306.08
IUPAC Name1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)CC(F)(F)F.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H2F6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;4-2(5,6)1-3(7,8)9/h1-10H;1H2
InChIKeyRFOJDABBDZJDRE-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.25
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane 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'-biphenyl;1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane (CID 160611657) is 1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane is FC(F)(F)CC(F)(F)F.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane?
The InChIKey is RFOJDABBDZJDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C3H2F6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;4-2(5,6)1-3(7,8)9/h1-10H;1H2.
What are the key properties of 1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane?
1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane has a molecular weight of 306.25 g/mol, XLogP of 5.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 160611657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).