1,1-difluoro-4-methylsulfanylbutan-2-amine

C5H11F2NS — CID 54203291

IUPAC1,1-difluoro-4-methylsulfanylbutan-2-amine
SMILESCSCCC(N)C(F)F
InChIInChI=1S/C5H11F2NS/c1-9-3-2-4(8)5(6)7/h4-5H,2-3,8H2,1H3
InChIKeyPQSQOOAPXYBFCA-UHFFFAOYSA-N
MW155.21 g/mol
LogP1.33
Rot. Bonds4

About 1,1-difluoro-4-methylsulfanylbutan-2-amine

1,1-difluoro-4-methylsulfanylbutan-2-amine (PubChem CID 54203291) has the molecular formula C5H11F2NS and a molecular weight of 155.21 g/mol. Its IUPAC name is 1,1-difluoro-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-4-methylsulfanylbutan-2-amine
PubChem CID54203291
Molecular FormulaC5H11F2NS
Molecular Weight155.21 g/mol
Exact Mass155.06
IUPAC Name1,1-difluoro-4-methylsulfanylbutan-2-amine
SMILESCSCCC(N)C(F)F
InChIInChI=1S/C5H11F2NS/c1-9-3-2-4(8)5(6)7/h4-5H,2-3,8H2,1H3
InChIKeyPQSQOOAPXYBFCA-UHFFFAOYSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methylsulfanylbutan-2-amine?
The IUPAC name of 1,1-difluoro-4-methylsulfanylbutan-2-amine (CID 54203291) is 1,1-difluoro-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for 1,1-difluoro-4-methylsulfanylbutan-2-amine?
The canonical SMILES for 1,1-difluoro-4-methylsulfanylbutan-2-amine is CSCCC(N)C(F)F.
What is the InChIKey of 1,1-difluoro-4-methylsulfanylbutan-2-amine?
The InChIKey is PQSQOOAPXYBFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NS/c1-9-3-2-4(8)5(6)7/h4-5H,2-3,8H2,1H3.
What are the key properties of 1,1-difluoro-4-methylsulfanylbutan-2-amine?
1,1-difluoro-4-methylsulfanylbutan-2-amine has a molecular weight of 155.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 54203291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).