1-methyl-2-phenylbenzene;sulfane;trifluoroborane

C13H14BF3S — CID 175768148

IUPAC1-methyl-2-phenylbenzene;sulfane;trifluoroborane
SMILESCc1ccccc1-c1ccccc1.FB(F)F.S
InChIInChI=1S/C13H12.BF3.H2S/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2-1(3)4;/h2-10H,1H3;;1H2
InChIKeyUUNNWGWFPLFSIP-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.65
Rot. Bonds1

About 1-methyl-2-phenylbenzene;sulfane;trifluoroborane

1-methyl-2-phenylbenzene;sulfane;trifluoroborane (PubChem CID 175768148) has the molecular formula C13H14BF3S and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-methyl-2-phenylbenzene;sulfane;trifluoroborane.

Molecular Properties

Compound Name1-methyl-2-phenylbenzene;sulfane;trifluoroborane
PubChem CID175768148
Molecular FormulaC13H14BF3S
Molecular Weight270.13 g/mol
Exact Mass270.09
IUPAC Name1-methyl-2-phenylbenzene;sulfane;trifluoroborane
SMILESCc1ccccc1-c1ccccc1.FB(F)F.S
InChIInChI=1S/C13H12.BF3.H2S/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2-1(3)4;/h2-10H,1H3;;1H2
InChIKeyUUNNWGWFPLFSIP-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-methyl-2-phenylbenzene;prop-1-ene
CID 144960650
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
1,2-bis(2-methylphenyl)-3-phenylbenzene
CID 175315364
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylbenzene;sulfane;trifluoroborane?
The IUPAC name of 1-methyl-2-phenylbenzene;sulfane;trifluoroborane (CID 175768148) is 1-methyl-2-phenylbenzene;sulfane;trifluoroborane.
What is the SMILES notation for 1-methyl-2-phenylbenzene;sulfane;trifluoroborane?
The canonical SMILES for 1-methyl-2-phenylbenzene;sulfane;trifluoroborane is Cc1ccccc1-c1ccccc1.FB(F)F.S.
What is the InChIKey of 1-methyl-2-phenylbenzene;sulfane;trifluoroborane?
The InChIKey is UUNNWGWFPLFSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.BF3.H2S/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2-1(3)4;/h2-10H,1H3;;1H2.
What are the key properties of 1-methyl-2-phenylbenzene;sulfane;trifluoroborane?
1-methyl-2-phenylbenzene;sulfane;trifluoroborane has a molecular weight of 270.13 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylbenzene;sulfane;trifluoroborane is sourced from PubChem (CID 175768148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).