1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine

C16H16F3NS — CID 43286578

IUPAC1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Sc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C16H16F3NS/c1-3-20-10(2)11-4-6-15(13(18)8-11)21-16-7-5-12(17)9-14(16)19/h4-10,20H,3H2,1-2H3
InChIKeyJDHTWUFHMRBLCK-UHFFFAOYSA-N
MW311.37 g/mol
LogP4.93
Rot. Bonds5

About 1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine

1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine (PubChem CID 43286578) has the molecular formula C16H16F3NS and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
PubChem CID43286578
Molecular FormulaC16H16F3NS
Molecular Weight311.37 g/mol
Exact Mass311.10
IUPAC Name1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Sc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C16H16F3NS/c1-3-20-10(2)11-4-6-15(13(18)8-11)21-16-7-5-12(17)9-14(16)19/h4-10,20H,3H2,1-2H3
InChIKeyJDHTWUFHMRBLCK-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,4-dimethylphenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
CID 43286392
N-ethyl-1-[3-fluoro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 115383128
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
1-[3-[(2,4-difluorophenyl)methylsulfanyl]phenyl]-N-ethylethanamine
CID 64664438
N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine
CID 43286080
N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine
CID 107780678
N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine
CID 43285513
N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 60884515
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227
N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine (CID 43286578) is 1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine is CCNC(C)c1ccc(Sc2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine?
The InChIKey is JDHTWUFHMRBLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NS/c1-3-20-10(2)11-4-6-15(13(18)8-11)21-16-7-5-12(17)9-14(16)19/h4-10,20H,3H2,1-2H3.
What are the key properties of 1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine?
1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine has a molecular weight of 311.37 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 43286578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).