(1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine

C9H9F3N4 — CID 166669987

IUPAC(1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILES[N-]=[N+]=NC[C@H](N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N4/c10-9(11,12)7-3-1-2-6(4-7)8(13)5-15-16-14/h1-4,8H,5,13H2/t8-/m0/s1
InChIKeyXDILOAMUBLJJFZ-QMMMGPOBSA-N
MW230.19 g/mol
LogP3.02
Rot. Bonds3

About (1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine

(1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 166669987) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is (1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID166669987
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name(1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILES[N-]=[N+]=NC[C@H](N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N4/c10-9(11,12)7-3-1-2-6(4-7)8(13)5-15-16-14/h1-4,8H,5,13H2/t8-/m0/s1
InChIKeyXDILOAMUBLJJFZ-QMMMGPOBSA-N
XLogP3.02
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-1-[3-(trifluoromethyl)phenyl]ethanol
CID 83092965
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
2-nitro-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 68646447
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206817
3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 105141503
2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64619482

Frequently Asked Questions

What is the IUPAC name of (1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 166669987) is (1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine is [N-]=[N+]=NC[C@H](N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is XDILOAMUBLJJFZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9F3N4/c10-9(11,12)7-3-1-2-6(4-7)8(13)5-15-16-14/h1-4,8H,5,13H2/t8-/m0/s1.
What are the key properties of (1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine?
(1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 230.19 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 166669987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).