1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene

C22H28F2S — CID 164522960

IUPAC1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene
SMILESFc1ccc(CCCCCSCCCCCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H28F2S/c23-21-13-9-19(10-14-21)7-3-1-5-17-25-18-6-2-4-8-20-11-15-22(24)16-12-20/h9-16H,1-8,17-18H2
InChIKeyXLNWROLDSZKNSR-UHFFFAOYSA-N
MW362.53 g/mol
LogP6.82
Rot. Bonds12

About 1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene

1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene (PubChem CID 164522960) has the molecular formula C22H28F2S and a molecular weight of 362.53 g/mol. Its IUPAC name is 1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene
PubChem CID164522960
Molecular FormulaC22H28F2S
Molecular Weight362.53 g/mol
Exact Mass362.19
IUPAC Name1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene
SMILESFc1ccc(CCCCCSCCCCCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H28F2S/c23-21-13-9-19(10-14-21)7-3-1-5-17-25-18-6-2-4-8-20-11-15-22(24)16-12-20/h9-16H,1-8,17-18H2
InChIKeyXLNWROLDSZKNSR-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.53
LogP ≤ 56.82
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

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CID 141294018
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1-nitro-4-[6-[6-(4-nitrophenyl)hexylsulfanyl]hexyl]benzene
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1-fluoro-4-non-8-enylbenzene
CID 57222789
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CID 14739735
N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine
CID 65308639
6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488
5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
(4-fluorophenyl)-(4-octylphenyl)diazene
CID 172555601
5-ethylsulfanylpentylbenzene
CID 90738401

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene?
The IUPAC name of 1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene (CID 164522960) is 1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene.
What is the SMILES notation for 1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene?
The canonical SMILES for 1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene is Fc1ccc(CCCCCSCCCCCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene?
The InChIKey is XLNWROLDSZKNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2S/c23-21-13-9-19(10-14-21)7-3-1-5-17-25-18-6-2-4-8-20-11-15-22(24)16-12-20/h9-16H,1-8,17-18H2.
What are the key properties of 1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene?
1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene has a molecular weight of 362.53 g/mol, XLogP of 6.82, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene is sourced from PubChem (CID 164522960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).