(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine

C8H7F4N — CID 28973274

IUPAC(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
SMILESN[C@@H](c1ccc(F)cc1F)C(F)F
InChIInChI=1S/C8H7F4N/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,7-8H,13H2/t7-/m0/s1
InChIKeyIYNCBVKCAHZJSX-ZETCQYMHSA-N
MW193.14 g/mol
LogP2.23
Rot. Bonds2

About (1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine

(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine (PubChem CID 28973274) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is (1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
PubChem CID28973274
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
SMILESN[C@@H](c1ccc(F)cc1F)C(F)F
InChIInChI=1S/C8H7F4N/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,7-8H,13H2/t7-/m0/s1
InChIKeyIYNCBVKCAHZJSX-ZETCQYMHSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
(2,4-difluorophenyl)methanediamine
CID 116939170
1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine
CID 79492526
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine
CID 116934030
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
1-(2,4-difluorophenyl)-2-methoxybutan-1-amine
CID 116715202
(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 130612107
1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(1S,2R)-1-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-ol
CID 171266705

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine?
The IUPAC name of (1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine (CID 28973274) is (1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine.
What is the SMILES notation for (1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine?
The canonical SMILES for (1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine is N[C@@H](c1ccc(F)cc1F)C(F)F.
What is the InChIKey of (1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine?
The InChIKey is IYNCBVKCAHZJSX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7F4N/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,7-8H,13H2/t7-/m0/s1.
What are the key properties of (1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine?
(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine has a molecular weight of 193.14 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine is sourced from PubChem (CID 28973274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).