(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine

C10H11F4N — CID 118492024

IUPAC(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCN[C@@H](C)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11F4N/c1-6(15-2)7-3-8(10(12,13)14)5-9(11)4-7/h3-6,15H,1-2H3/t6-/m0/s1
InChIKeyNTRRXIADOHPEOK-LURJTMIESA-N
MW221.20 g/mol
LogP3.12
Rot. Bonds2

About (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine

(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine (PubChem CID 118492024) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
PubChem CID118492024
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCN[C@@H](C)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11F4N/c1-6(15-2)7-3-8(10(12,13)14)5-9(11)4-7/h3-6,15H,1-2H3/t6-/m0/s1
InChIKeyNTRRXIADOHPEOK-LURJTMIESA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine?
The IUPAC name of (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine (CID 118492024) is (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine?
The canonical SMILES for (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine is CN[C@@H](C)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine?
The InChIKey is NTRRXIADOHPEOK-LURJTMIESA-N. The full InChI is InChI=1S/C10H11F4N/c1-6(15-2)7-3-8(10(12,13)14)5-9(11)4-7/h3-6,15H,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine?
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine has a molecular weight of 221.20 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 118492024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).