[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride

C8H10ClF2N — CID 89251980

IUPAC[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
SMILESC[C@H]([NH3+])c1ccc(F)cc1F.[Cl-]
InChIInChI=1S/C8H9F2N.ClH/c1-5(11)7-3-2-6(9)4-8(7)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChIKeyBWIGKZOWBCNPTI-JEDNCBNOSA-N
MW193.62 g/mol
LogP-1.73
Rot. Bonds1

About [(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride

[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride (PubChem CID 89251980) has the molecular formula C8H10ClF2N and a molecular weight of 193.62 g/mol. Its IUPAC name is [(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride.

Molecular Properties

Compound Name[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
PubChem CID89251980
Molecular FormulaC8H10ClF2N
Molecular Weight193.62 g/mol
Exact Mass193.05
IUPAC Name[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
SMILESC[C@H]([NH3+])c1ccc(F)cc1F.[Cl-]
InChIInChI=1S/C8H9F2N.ClH/c1-5(11)7-3-2-6(9)4-8(7)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChIKeyBWIGKZOWBCNPTI-JEDNCBNOSA-N
XLogP-1.73
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.62
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 121459140
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1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
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4-chloro-2-fluoro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;ethane
CID 166121933
1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
(2,4-difluorophenyl)methanediol
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1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
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CID 89477372

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride?
The IUPAC name of [(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride (CID 89251980) is [(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride.
What is the SMILES notation for [(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride?
The canonical SMILES for [(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride is C[C@H]([NH3+])c1ccc(F)cc1F.[Cl-].
What is the InChIKey of [(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride?
The InChIKey is BWIGKZOWBCNPTI-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H9F2N.ClH/c1-5(11)7-3-2-6(9)4-8(7)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1.
What are the key properties of [(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride?
[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride has a molecular weight of 193.62 g/mol, XLogP of -1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride is sourced from PubChem (CID 89251980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).