2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride

C4H10ClF2NS — CID 167719196

IUPAC2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride
SMILESCSCC(F)(F)CN.Cl
InChIInChI=1S/C4H9F2NS.ClH/c1-8-3-4(5,6)2-7;/h2-3,7H2,1H3;1H
InChIKeyNIUVLVBBXAQGBA-UHFFFAOYSA-N
MW177.65 g/mol
LogP1.37
Rot. Bonds3

About 2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride

2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride (PubChem CID 167719196) has the molecular formula C4H10ClF2NS and a molecular weight of 177.65 g/mol. Its IUPAC name is 2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride
PubChem CID167719196
Molecular FormulaC4H10ClF2NS
Molecular Weight177.65 g/mol
Exact Mass177.02
IUPAC Name2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride
SMILESCSCC(F)(F)CN.Cl
InChIInChI=1S/C4H9F2NS.ClH/c1-8-3-4(5,6)2-7;/h2-3,7H2,1H3;1H
InChIKeyNIUVLVBBXAQGBA-UHFFFAOYSA-N
XLogP1.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.65
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-((3,3,3-Trifluoropropyl)sulfanyl)ethan-1-amine
CID 58684527
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
3-(Ethylsulfanyl)-2,2-difluoropropan-1-amine hydrochloride
CID 167737880
(2,2-Difluoro-3-methylsulfanyl-3-sulfanylidenepropyl)azanium
CID 134855206
1,1-Difluoro-4-(methylsulfanyl)butan-2-amine
CID 54203291
3-(3,3,3-Trifluoropropylsulfanyl)propan-1-amine
CID 58684114
3-(4,4,4-Trifluorobutylsulfanyl)propan-1-amine
CID 58684226
2-(4,4,4-Trifluorobutylsulfanyl)ethanamine
CID 58684267
3-[(2,2,2-Trifluoroethyl)sulfanyl]propan-1-amine
CID 58684509

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride?
The IUPAC name of 2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride (CID 167719196) is 2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride?
The canonical SMILES for 2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride is CSCC(F)(F)CN.Cl.
What is the InChIKey of 2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride?
The InChIKey is NIUVLVBBXAQGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NS.ClH/c1-8-3-4(5,6)2-7;/h2-3,7H2,1H3;1H.
What are the key properties of 2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride?
2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride has a molecular weight of 177.65 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methylsulfanylpropan-1-amine;hydrochloride is sourced from PubChem (CID 167719196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).