[3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine

C10H11F4NOS — CID 116615174

IUPAC[3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
SMILESNCc1cccc(F)c1OCCSC(F)(F)F
InChIInChI=1S/C10H11F4NOS/c11-8-3-1-2-7(6-15)9(8)16-4-5-17-10(12,13)14/h1-3H,4-6,15H2
InChIKeyMTNBVHJBUGMREE-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.92
Rot. Bonds5

About [3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine

[3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine (PubChem CID 116615174) has the molecular formula C10H11F4NOS and a molecular weight of 269.26 g/mol. Its IUPAC name is [3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
PubChem CID116615174
Molecular FormulaC10H11F4NOS
Molecular Weight269.26 g/mol
Exact Mass269.05
IUPAC Name[3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
SMILESNCc1cccc(F)c1OCCSC(F)(F)F
InChIInChI=1S/C10H11F4NOS/c11-8-3-1-2-7(6-15)9(8)16-4-5-17-10(12,13)14/h1-3H,4-6,15H2
InChIKeyMTNBVHJBUGMREE-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112607929
[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine
CID 112607984
1-[3-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-amine
CID 116617144
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 115952103
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
N-[[3-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 116615095
[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine
CID 112608217
2-fluoro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzonitrile
CID 116628106
[5-chloro-3-methoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
CID 116615218
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine?
The IUPAC name of [3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine (CID 116615174) is [3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine is NCc1cccc(F)c1OCCSC(F)(F)F.
What is the InChIKey of [3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine?
The InChIKey is MTNBVHJBUGMREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NOS/c11-8-3-1-2-7(6-15)9(8)16-4-5-17-10(12,13)14/h1-3H,4-6,15H2.
What are the key properties of [3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine?
[3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine has a molecular weight of 269.26 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 116615174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).