2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride

C5H12ClF2NS — CID 130237508

IUPAC2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride
SMILESCC(F)(F)CSCCN.Cl
InChIInChI=1S/C5H11F2NS.ClH/c1-5(6,7)4-9-3-2-8;/h2-4,8H2,1H3;1H
InChIKeyGFTRDWZHYDFGJS-UHFFFAOYSA-N
MW191.67 g/mol
LogP1.76
Rot. Bonds4

About 2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride

2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride (PubChem CID 130237508) has the molecular formula C5H12ClF2NS and a molecular weight of 191.67 g/mol. Its IUPAC name is 2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride
PubChem CID130237508
Molecular FormulaC5H12ClF2NS
Molecular Weight191.67 g/mol
Exact Mass191.03
IUPAC Name2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride
SMILESCC(F)(F)CSCCN.Cl
InChIInChI=1S/C5H11F2NS.ClH/c1-5(6,7)4-9-3-2-8;/h2-4,8H2,1H3;1H
InChIKeyGFTRDWZHYDFGJS-UHFFFAOYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.67
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((3,3,3-Trifluoropropyl)sulfanyl)ethan-1-amine
CID 58684527
2-((2,2,2-Trifluoroethyl)sulfanyl)ethan-1-amine hydrochloride
CID 71757786
2-((Difluoromethyl)sulfanyl)propan-1-amine
CID 66219617
(2R)-1-((difluoromethyl)sulfanyl)propan-2-amine hydrochloride
CID 165891945
(2S)-2-[(difluoromethyl)sulfanyl]propan-1-amine hydrochloride
CID 165949087
(2R)-2-((difluoromethyl)sulfanyl)propan-1-amine hydrochloride
CID 165950340
2,2-Difluoro-3-(methylsulfanyl)propan-1-amine hydrochloride
CID 167719196
3-(Ethylsulfanyl)-2,2-difluoropropan-1-amine hydrochloride
CID 167737880
3-(4,4,5,5,5-Pentafluoropentylsulfanyl)propan-1-amine
CID 15485804
2-[(2,2,2-Trifluoroethyl)sulfanyl]ethan-1-amine
CID 24691578
2-[(2,2-Difluoroethyl)sulfanyl]ethan-1-amine
CID 51890182
1,1-Difluoro-4-(methylsulfanyl)butan-2-amine
CID 54203291

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride (CID 130237508) is 2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride is CC(F)(F)CSCCN.Cl.
What is the InChIKey of 2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride?
The InChIKey is GFTRDWZHYDFGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NS.ClH/c1-5(6,7)4-9-3-2-8;/h2-4,8H2,1H3;1H.
What are the key properties of 2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride?
2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride has a molecular weight of 191.67 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride is sourced from PubChem (CID 130237508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).