trifluoro-phenyl-phenylsulfanyl-λ5-phosphane

C12H10F3PS — CID 23237597

IUPACtrifluoro-phenyl-phenylsulfanyl-λ5-phosphane
SMILESFP(F)(F)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C12H10F3PS/c13-16(14,15,11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H
InChIKeyBCIHVGVPYMVCKM-UHFFFAOYSA-N
MW274.25 g/mol
LogP5.23
Rot. Bonds3

About trifluoro-phenyl-phenylsulfanyl-λ5-phosphane

trifluoro-phenyl-phenylsulfanyl-λ5-phosphane (PubChem CID 23237597) has the molecular formula C12H10F3PS and a molecular weight of 274.25 g/mol. Its IUPAC name is trifluoro-phenyl-phenylsulfanyl-λ5-phosphane.

Molecular Properties

Compound Nametrifluoro-phenyl-phenylsulfanyl-λ5-phosphane
PubChem CID23237597
Molecular FormulaC12H10F3PS
Molecular Weight274.25 g/mol
Exact Mass274.02
IUPAC Nametrifluoro-phenyl-phenylsulfanyl-λ5-phosphane
SMILESFP(F)(F)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C12H10F3PS/c13-16(14,15,11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H
InChIKeyBCIHVGVPYMVCKM-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.25
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

difluoro-methyl-diphenyl-λ5-phosphane
CID 6421241
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
calcium sulfenatobenzene
CID 172805620
N-[trifluoro(phenyl)-λ5-phosphanyl]propan-2-amine
CID 23237434
magnesium;carbanide;methanidylsulfanylbenzene
CID 177471984
CID 66690055
CID 66690055
1,1,1,3,3,3-hexafluoropropan-2-ylsulfanylbenzene
CID 12567444
trifluoro-phenyl-pyrrol-1-yl-λ5-phosphane
CID 6424531
bromo-methyl-triphenyl-λ5-phosphane;hydrobromide
CID 173269490
selanylsulfanylbenzene
CID 160613497
benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride
CID 173254965
dimethyl-diphenyl-pyridin-2-ylsulfanyl-lambda5-phosphane
CID 15243495

Frequently Asked Questions

What is the IUPAC name of trifluoro-phenyl-phenylsulfanyl-λ5-phosphane?
The IUPAC name of trifluoro-phenyl-phenylsulfanyl-λ5-phosphane (CID 23237597) is trifluoro-phenyl-phenylsulfanyl-λ5-phosphane.
What is the SMILES notation for trifluoro-phenyl-phenylsulfanyl-λ5-phosphane?
The canonical SMILES for trifluoro-phenyl-phenylsulfanyl-λ5-phosphane is FP(F)(F)(Sc1ccccc1)c1ccccc1.
What is the InChIKey of trifluoro-phenyl-phenylsulfanyl-λ5-phosphane?
The InChIKey is BCIHVGVPYMVCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3PS/c13-16(14,15,11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H.
What are the key properties of trifluoro-phenyl-phenylsulfanyl-λ5-phosphane?
trifluoro-phenyl-phenylsulfanyl-λ5-phosphane has a molecular weight of 274.25 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-phenyl-phenylsulfanyl-λ5-phosphane is sourced from PubChem (CID 23237597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).