[3-fluoropropylsulfanyl(diphenyl)methyl]benzene

C22H21FS — CID 59710617

IUPAC[3-fluoropropylsulfanyl(diphenyl)methyl]benzene
SMILESFCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21FS/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
InChIKeyNTFCHWNBAURMCS-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.07
Rot. Bonds7

About [3-fluoropropylsulfanyl(diphenyl)methyl]benzene

[3-fluoropropylsulfanyl(diphenyl)methyl]benzene (PubChem CID 59710617) has the molecular formula C22H21FS and a molecular weight of 336.48 g/mol. Its IUPAC name is [3-fluoropropylsulfanyl(diphenyl)methyl]benzene.

Molecular Properties

Compound Name[3-fluoropropylsulfanyl(diphenyl)methyl]benzene
PubChem CID59710617
Molecular FormulaC22H21FS
Molecular Weight336.48 g/mol
Exact Mass336.13
IUPAC Name[3-fluoropropylsulfanyl(diphenyl)methyl]benzene
SMILESFCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21FS/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
InChIKeyNTFCHWNBAURMCS-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Dibenzyl sulfide
CID 10867
Benzenemethanethiol, alpha,alpha-diphenyl-
CID 77281
S-Tritylcysteamine
CID 262764
Triphenylmethanesulfenamide
CID 342377
Triphenylmethanesulfenyl Chloride
CID 342378
2,2-Diphenyl-1,3-dithiane
CID 364841
Alpha,alpha-bis(phenylthio)toluene
CID 608010
Sulfide, benzyl trityl
CID 245019
S-trityl ethanethioate
CID 248897
1-(((1-Naphthylmethyl)thio)methyl)naphthalene
CID 233907
2,5-Diphenyl-1,4-dithiin
CID 245172
Benzene, 1,1',1''-(fluoromethylidyne)tris-
CID 67929

Frequently Asked Questions

What is the IUPAC name of [3-fluoropropylsulfanyl(diphenyl)methyl]benzene?
The IUPAC name of [3-fluoropropylsulfanyl(diphenyl)methyl]benzene (CID 59710617) is [3-fluoropropylsulfanyl(diphenyl)methyl]benzene.
What is the SMILES notation for [3-fluoropropylsulfanyl(diphenyl)methyl]benzene?
The canonical SMILES for [3-fluoropropylsulfanyl(diphenyl)methyl]benzene is FCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-fluoropropylsulfanyl(diphenyl)methyl]benzene?
The InChIKey is NTFCHWNBAURMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FS/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2.
What are the key properties of [3-fluoropropylsulfanyl(diphenyl)methyl]benzene?
[3-fluoropropylsulfanyl(diphenyl)methyl]benzene has a molecular weight of 336.48 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoropropylsulfanyl(diphenyl)methyl]benzene is sourced from PubChem (CID 59710617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).