[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite

C8H9ClFNS — CID 150613645

IUPAC[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite
SMILESCC(N)(SF)c1cccc(Cl)c1
InChIInChI=1S/C8H9ClFNS/c1-8(11,12-10)6-3-2-4-7(9)5-6/h2-5H,11H2,1H3
InChIKeyIUKXPTPEGRKGOP-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.09
Rot. Bonds2

About [1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite

[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite (PubChem CID 150613645) has the molecular formula C8H9ClFNS and a molecular weight of 205.69 g/mol. Its IUPAC name is [1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite.

Molecular Properties

Compound Name[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite
PubChem CID150613645
Molecular FormulaC8H9ClFNS
Molecular Weight205.69 g/mol
Exact Mass205.01
IUPAC Name[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite
SMILESCC(N)(SF)c1cccc(Cl)c1
InChIInChI=1S/C8H9ClFNS/c1-8(11,12-10)6-3-2-4-7(9)5-6/h2-5H,11H2,1H3
InChIKeyIUKXPTPEGRKGOP-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine
CID 62789192
[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite
CID 150215237
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
CID 63408144
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
1-chloro-3-(2,3-dimethylbutan-2-yl)benzene
CID 118359606
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 55120933
1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82819938
1-tert-butyl-3-chlorobenzene;sulfuryl dichloride
CID 174401484
1-(3-chlorophenyl)-1-pyrimidin-5-ylethanamine
CID 62490873
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
2-(3-chlorophenyl)-2-methylpropan-1-imine
CID 123713215

Frequently Asked Questions

What is the IUPAC name of [1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite?
The IUPAC name of [1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite (CID 150613645) is [1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite.
What is the SMILES notation for [1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite?
The canonical SMILES for [1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite is CC(N)(SF)c1cccc(Cl)c1.
What is the InChIKey of [1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite?
The InChIKey is IUKXPTPEGRKGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNS/c1-8(11,12-10)6-3-2-4-7(9)5-6/h2-5H,11H2,1H3.
What are the key properties of [1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite?
[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite has a molecular weight of 205.69 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite is sourced from PubChem (CID 150613645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).