(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine

C8H5F6N — CID 66511402

IUPAC(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine
SMILESN[C@H](c1ccc(F)c(F)c1F)C(F)(F)F
InChIInChI=1S/C8H5F6N/c9-4-2-1-3(5(10)6(4)11)7(15)8(12,13)14/h1-2,7H,15H2/t7-/m1/s1
InChIKeyVNVMAOJNJCMPAQ-SSDOTTSWSA-N
MW229.12 g/mol
LogP2.67
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine

(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 66511402) has the molecular formula C8H5F6N and a molecular weight of 229.12 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID66511402
Molecular FormulaC8H5F6N
Molecular Weight229.12 g/mol
Exact Mass229.03
IUPAC Name(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine
SMILESN[C@H](c1ccc(F)c(F)c1F)C(F)(F)F
InChIInChI=1S/C8H5F6N/c9-4-2-1-3(5(10)6(4)11)7(15)8(12,13)14/h1-2,7H,15H2/t7-/m1/s1
InChIKeyVNVMAOJNJCMPAQ-SSDOTTSWSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1R)-2,2,3,3,3-pentafluoro-1-(2,3,4-trifluorophenyl)propan-1-amine;hydrochloride
CID 171312382
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584
(3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol
CID 131473038
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 171251766
1-[3-(difluoromethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 169321688
(1R)-2,2,2-trifluoro-1-(2-fluoro-4-iodophenyl)ethanamine
CID 66512608
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171249579
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 171242192
(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine
CID 66512062
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242193
(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
CID 130658777
(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride
CID 171225380

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine (CID 66511402) is (1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine is N[C@H](c1ccc(F)c(F)c1F)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is VNVMAOJNJCMPAQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H5F6N/c9-4-2-1-3(5(10)6(4)11)7(15)8(12,13)14/h1-2,7H,15H2/t7-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine?
(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 229.12 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 66511402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).