(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine

C8H6F4IN — CID 66512623

IUPAC(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
SMILESN[C@@H](c1ccc(F)cc1I)C(F)(F)F
InChIInChI=1S/C8H6F4IN/c9-4-1-2-5(6(13)3-4)7(14)8(10,11)12/h1-3,7H,14H2/t7-/m0/s1
InChIKeyDUOHMZASLWJVEP-ZETCQYMHSA-N
MW319.04 g/mol
LogP2.99
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine

(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine (PubChem CID 66512623) has the molecular formula C8H6F4IN and a molecular weight of 319.04 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
PubChem CID66512623
Molecular FormulaC8H6F4IN
Molecular Weight319.04 g/mol
Exact Mass318.95
IUPAC Name(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
SMILESN[C@@H](c1ccc(F)cc1I)C(F)(F)F
InChIInChI=1S/C8H6F4IN/c9-4-1-2-5(6(13)3-4)7(14)8(10,11)12/h1-3,7H,14H2/t7-/m0/s1
InChIKeyDUOHMZASLWJVEP-ZETCQYMHSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.04
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine
CID 66511138
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-fluorophenol
CID 66511072
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639
(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
CID 56971906
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171247942
(1R)-2,2,2-trifluoro-1-(2-fluoro-4-iodophenyl)ethanamine
CID 66512608
1-(4-fluoro-2-iodophenyl)propan-1-amine
CID 103846012
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-iodophenol
CID 66512553
(1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine
CID 131123838
(1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine
CID 130900597

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine (CID 66512623) is (1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine is N[C@@H](c1ccc(F)cc1I)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine?
The InChIKey is DUOHMZASLWJVEP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H6F4IN/c9-4-1-2-5(6(13)3-4)7(14)8(10,11)12/h1-3,7H,14H2/t7-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine?
(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine has a molecular weight of 319.04 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine is sourced from PubChem (CID 66512623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).