4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline

C14H13F2NS — CID 55024188

IUPAC4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline
SMILESFc1ccc(NCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C14H13F2NS/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8,17H,9-10H2
InChIKeyXSRRMKRNWJKHRH-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.17
Rot. Bonds5

About 4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline

4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline (PubChem CID 55024188) has the molecular formula C14H13F2NS and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline
PubChem CID55024188
Molecular FormulaC14H13F2NS
Molecular Weight265.33 g/mol
Exact Mass265.07
IUPAC Name4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline
SMILESFc1ccc(NCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C14H13F2NS/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8,17H,9-10H2
InChIKeyXSRRMKRNWJKHRH-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline
CID 63517607
N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline
CID 55024156
4-bromo-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 55194583
4-chloro-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 63517735
4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline
CID 62577601
N-[2-(4-tert-butylphenyl)sulfanylethyl]-4-chloroaniline
CID 63516291
N-[2-(4-bromophenyl)sulfanylethyl]aniline
CID 55092644
N-[2-(4-fluorophenyl)sulfanylethyl]pentan-3-amine
CID 60687608
N-[2-(4-tert-butylphenyl)sulfanylethyl]aniline
CID 63515630
4-chloro-N-(2-naphthalen-2-ylsulfanylethyl)aniline
CID 63515810
N-(2-phenylsulfanylethyl)-4-propan-2-ylaniline
CID 79211777
4-fluoro-N-[2-(3-methoxypropylsulfanyl)ethyl]aniline
CID 63856173

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline (CID 55024188) is 4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline is Fc1ccc(NCCSc2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline?
The InChIKey is XSRRMKRNWJKHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NS/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8,17H,9-10H2.
What are the key properties of 4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline?
4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline has a molecular weight of 265.33 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline is sourced from PubChem (CID 55024188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).