2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine

C10H10F5NS — CID 115405900

IUPAC2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
SMILESFC(F)CNCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H10F5NS/c11-9(12)6-16-5-7-1-3-8(4-2-7)17-10(13,14)15/h1-4,9,16H,5-6H2
InChIKeyOZUDCZHHFYARGA-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.65
Rot. Bonds5

About 2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine

2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine (PubChem CID 115405900) has the molecular formula C10H10F5NS and a molecular weight of 271.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
PubChem CID115405900
Molecular FormulaC10H10F5NS
Molecular Weight271.25 g/mol
Exact Mass271.05
IUPAC Name2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
SMILESFC(F)CNCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H10F5NS/c11-9(12)6-16-5-7-1-3-8(4-2-7)17-10(13,14)15/h1-4,9,16H,5-6H2
InChIKeyOZUDCZHHFYARGA-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 29298157
2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115757686
3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propane-1,2-diol
CID 66176743
2-methylsulfinyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115764125
4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol
CID 111448770
1-(4-methylphenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 29273379
1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine
CID 78829971
3-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 113263640
2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 60699399
2-methyl-1-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propan-2-ol
CID 63933936
N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 16775123
N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine (CID 115405900) is 2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine is FC(F)CNCc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine?
The InChIKey is OZUDCZHHFYARGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NS/c11-9(12)6-16-5-7-1-3-8(4-2-7)17-10(13,14)15/h1-4,9,16H,5-6H2.
What are the key properties of 2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine?
2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine has a molecular weight of 271.25 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 115405900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).