1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene

C20H24F2S2 — CID 87128788

IUPAC1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene
SMILESCCC(Cc1ccccc1F)SSC(CC)Cc1ccccc1F
InChIInChI=1S/C20H24F2S2/c1-3-17(13-15-9-5-7-11-19(15)21)23-24-18(4-2)14-16-10-6-8-12-20(16)22/h5-12,17-18H,3-4,13-14H2,1-2H3
InChIKeyNUGOWVVWZLHUJC-UHFFFAOYSA-N
MW366.54 g/mol
LogP6.69
Rot. Bonds9

About 1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene

1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene (PubChem CID 87128788) has the molecular formula C20H24F2S2 and a molecular weight of 366.54 g/mol. Its IUPAC name is 1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene
PubChem CID87128788
Molecular FormulaC20H24F2S2
Molecular Weight366.54 g/mol
Exact Mass366.13
IUPAC Name1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene
SMILESCCC(Cc1ccccc1F)SSC(CC)Cc1ccccc1F
InChIInChI=1S/C20H24F2S2/c1-3-17(13-15-9-5-7-11-19(15)21)23-24-18(4-2)14-16-10-6-8-12-20(16)22/h5-12,17-18H,3-4,13-14H2,1-2H3
InChIKeyNUGOWVVWZLHUJC-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
1-[2-(bromomethyl)butyl]-2-fluorobenzene
CID 66041853
1-(3-bromo-2-methylpentyl)-2-fluorobenzene
CID 63561092
3-[(2-fluorophenyl)methyl]pentan-2-amine
CID 60999151
1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene
CID 174779552
1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol
CID 65130556
azane;1-ethyl-2-fluorobenzene
CID 66657049
4-ethoxy-1-(2-fluorophenyl)butan-2-ol
CID 62607286
1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 66466100
1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol
CID 63425921
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 114830832

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene?
The IUPAC name of 1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene (CID 87128788) is 1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene.
What is the SMILES notation for 1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene?
The canonical SMILES for 1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene is CCC(Cc1ccccc1F)SSC(CC)Cc1ccccc1F.
What is the InChIKey of 1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene?
The InChIKey is NUGOWVVWZLHUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2S2/c1-3-17(13-15-9-5-7-11-19(15)21)23-24-18(4-2)14-16-10-6-8-12-20(16)22/h5-12,17-18H,3-4,13-14H2,1-2H3.
What are the key properties of 1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene?
1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene has a molecular weight of 366.54 g/mol, XLogP of 6.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene is sourced from PubChem (CID 87128788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).