2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine

C13H15F2NS — CID 114187683

IUPAC2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
SMILESC#CCSCCNCC(F)(F)c1ccccc1
InChIInChI=1S/C13H15F2NS/c1-2-9-17-10-8-16-11-13(14,15)12-6-4-3-5-7-12/h1,3-7,16H,8-11H2
InChIKeyGLVWLLBLTKJARO-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.73
Rot. Bonds7

About 2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine

2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine (PubChem CID 114187683) has the molecular formula C13H15F2NS and a molecular weight of 255.33 g/mol. Its IUPAC name is 2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
PubChem CID114187683
Molecular FormulaC13H15F2NS
Molecular Weight255.33 g/mol
Exact Mass255.09
IUPAC Name2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
SMILESC#CCSCCNCC(F)(F)c1ccccc1
InChIInChI=1S/C13H15F2NS/c1-2-9-17-10-8-16-11-13(14,15)12-6-4-3-5-7-12/h1,3-7,16H,8-11H2
InChIKeyGLVWLLBLTKJARO-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2,2-difluoro-2-phenylethyl)amino]ethylsulfanyl]propan-1-ol
CID 114171865
2-phenyl-N-(2-prop-2-ynylsulfanylethyl)prop-2-en-1-amine
CID 106428581
2-phenoxy-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 106428356
N-[(2-chlorophenyl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 115642950
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
CID 116788792
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 106426179
2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 114187562
6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine
CID 107844571
2,2-dimethyl-3-(2-prop-2-ynylsulfanylethylamino)propanoic acid
CID 106428755
N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428792
N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine
CID 116788817
1-(2-fluorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)ethanol
CID 106428715

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine?
The IUPAC name of 2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine (CID 114187683) is 2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine is C#CCSCCNCC(F)(F)c1ccccc1.
What is the InChIKey of 2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine?
The InChIKey is GLVWLLBLTKJARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NS/c1-2-9-17-10-8-16-11-13(14,15)12-6-4-3-5-7-12/h1,3-7,16H,8-11H2.
What are the key properties of 2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine?
2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine has a molecular weight of 255.33 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine is sourced from PubChem (CID 114187683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).