1-fluoro-4-(4-phenylbutylsulfinyl)benzene

C16H17FOS — CID 114334866

IUPAC1-fluoro-4-(4-phenylbutylsulfinyl)benzene
SMILESO=S(CCCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FOS/c17-15-9-11-16(12-10-15)19(18)13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2
InChIKeyURUYJACBRYCXMH-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.96
Rot. Bonds6

About 1-fluoro-4-(4-phenylbutylsulfinyl)benzene

1-fluoro-4-(4-phenylbutylsulfinyl)benzene (PubChem CID 114334866) has the molecular formula C16H17FOS and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-fluoro-4-(4-phenylbutylsulfinyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(4-phenylbutylsulfinyl)benzene
PubChem CID114334866
Molecular FormulaC16H17FOS
Molecular Weight276.38 g/mol
Exact Mass276.10
IUPAC Name1-fluoro-4-(4-phenylbutylsulfinyl)benzene
SMILESO=S(CCCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FOS/c17-15-9-11-16(12-10-15)19(18)13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2
InChIKeyURUYJACBRYCXMH-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(4-phenylbutylsulfinyl)aniline
CID 114335094
4-(3-phenylpropylsulfinyl)aniline
CID 61369035
4-(4-phenylbutylsulfinyl)butylbenzene
CID 66797089
6-(benzenesulfinyl)hexylsulfinylbenzene
CID 15525512
3-(4-fluorophenyl)sulfinylpropan-1-amine
CID 58684769
4-[2-(4-fluorophenyl)sulfinylethyl]aniline
CID 61304596
1-methyl-4-(2-phenylethylsulfinyl)benzene
CID 14025348
1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene
CID 14025349
6-(4-fluorophenyl)sulfinylhexan-2-one
CID 64635188
2-[2-(4-fluorophenyl)sulfinylethyl]aniline
CID 55079347
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine
CID 64657510
4-phenylbutylbenzene
CID 141301927

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-phenylbutylsulfinyl)benzene?
The IUPAC name of 1-fluoro-4-(4-phenylbutylsulfinyl)benzene (CID 114334866) is 1-fluoro-4-(4-phenylbutylsulfinyl)benzene.
What is the SMILES notation for 1-fluoro-4-(4-phenylbutylsulfinyl)benzene?
The canonical SMILES for 1-fluoro-4-(4-phenylbutylsulfinyl)benzene is O=S(CCCCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(4-phenylbutylsulfinyl)benzene?
The InChIKey is URUYJACBRYCXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FOS/c17-15-9-11-16(12-10-15)19(18)13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2.
What are the key properties of 1-fluoro-4-(4-phenylbutylsulfinyl)benzene?
1-fluoro-4-(4-phenylbutylsulfinyl)benzene has a molecular weight of 276.38 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-phenylbutylsulfinyl)benzene is sourced from PubChem (CID 114334866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).