2-(difluoromethylsulfanyl)ethanamine

C3H7F2NS — CID 43249706

IUPAC2-(difluoromethylsulfanyl)ethanamine
SMILESNCCSC(F)F
InChIInChI=1S/C3H7F2NS/c4-3(5)7-2-1-6/h3H,1-2,6H2
InChIKeyLPZNARIAAJUWRX-UHFFFAOYSA-N
MW127.16 g/mol
LogP0.90
Rot. Bonds3

About 2-(difluoromethylsulfanyl)ethanamine

2-(difluoromethylsulfanyl)ethanamine (PubChem CID 43249706) has the molecular formula C3H7F2NS and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)ethanamine
PubChem CID43249706
Molecular FormulaC3H7F2NS
Molecular Weight127.16 g/mol
Exact Mass127.03
IUPAC Name2-(difluoromethylsulfanyl)ethanamine
SMILESNCCSC(F)F
InChIInChI=1S/C3H7F2NS/c4-3(5)7-2-1-6/h3H,1-2,6H2
InChIKeyLPZNARIAAJUWRX-UHFFFAOYSA-N
XLogP0.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-ylsulfanylethanamine
CID 15111098
2-(2-aminoethylsulfanyl)propane-1,3-diamine
CID 87634594
2-propan-2-ylsulfanylethanamine;hydrochloride
CID 54758985
1-(difluoromethylsulfanyl)hexane
CID 162535464
2-(2-aminoethyldisulfanyl)ethanamine
CID 2915
ethyl 3-(difluoromethylsulfanyl)propanoate
CID 175669295
2-(difluoromethylsulfanyl)ethylbenzene
CID 155555822
methyl (2S)-4-(difluoromethylsulfanyl)-2-methylbutanoate
CID 90899795
2-(difluoromethylsulfanyl)acetamide
CID 54095532
2-butylsulfanylethanamine;ethane
CID 145193609
3-(2-aminoethylsulfanyl)butanoic acid
CID 61320284
4-(difluoromethylsulfanyl)-2-methylbutanoic acid
CID 20699595

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)ethanamine?
The IUPAC name of 2-(difluoromethylsulfanyl)ethanamine (CID 43249706) is 2-(difluoromethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(difluoromethylsulfanyl)ethanamine?
The canonical SMILES for 2-(difluoromethylsulfanyl)ethanamine is NCCSC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)ethanamine?
The InChIKey is LPZNARIAAJUWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NS/c4-3(5)7-2-1-6/h3H,1-2,6H2.
What are the key properties of 2-(difluoromethylsulfanyl)ethanamine?
2-(difluoromethylsulfanyl)ethanamine has a molecular weight of 127.16 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 43249706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).