2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol

C10H11F4NOS — CID 103948161

IUPAC2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol
SMILESOc1c(F)cccc1CNCCSC(F)(F)F
InChIInChI=1S/C10H11F4NOS/c11-8-3-1-2-7(9(8)16)6-15-4-5-17-10(12,13)14/h1-3,15-16H,4-6H2
InChIKeyKNIWPWVBRYCHQX-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.87
Rot. Bonds5

About 2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol

2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol (PubChem CID 103948161) has the molecular formula C10H11F4NOS and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol
PubChem CID103948161
Molecular FormulaC10H11F4NOS
Molecular Weight269.26 g/mol
Exact Mass269.05
IUPAC Name2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol
SMILESOc1c(F)cccc1CNCCSC(F)(F)F
InChIInChI=1S/C10H11F4NOS/c11-8-3-1-2-7(9(8)16)6-15-4-5-17-10(12,13)14/h1-3,15-16H,4-6H2
InChIKeyKNIWPWVBRYCHQX-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-[(2-phenylsulfanylethylamino)methyl]phenol
CID 112606611
N-[(2-ethylphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615591
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
N-[(2-fluoro-3-nitrophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106429284
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 112606322
2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl carbamate
CID 112607237
N-[(4-chloro-2-methylphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427292
N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 75529958
2-fluoro-6-[[4-(trifluoromethylsulfanyl)anilino]methyl]phenol
CID 115951327
2-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]-6-fluorophenol
CID 103948928
3-fluoro-4-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]benzonitrile
CID 113278166

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol (CID 103948161) is 2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol is Oc1c(F)cccc1CNCCSC(F)(F)F.
What is the InChIKey of 2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol?
The InChIKey is KNIWPWVBRYCHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NOS/c11-8-3-1-2-7(9(8)16)6-15-4-5-17-10(12,13)14/h1-3,15-16H,4-6H2.
What are the key properties of 2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol?
2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol has a molecular weight of 269.26 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol is sourced from PubChem (CID 103948161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).