N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine

C8H17F2NS — CID 102870099

IUPACN-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NC(C)C(F)F
InChIInChI=1S/C8H17F2NS/c1-4-7(5-12-3)11-6(2)8(9)10/h6-8,11H,4-5H2,1-3H3
InChIKeyFEDVFSBQRUOFFS-UHFFFAOYSA-N
MW197.29 g/mol
LogP2.37
Rot. Bonds6

About N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine

N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine (PubChem CID 102870099) has the molecular formula C8H17F2NS and a molecular weight of 197.29 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine
PubChem CID102870099
Molecular FormulaC8H17F2NS
Molecular Weight197.29 g/mol
Exact Mass197.10
IUPAC NameN-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NC(C)C(F)F
InChIInChI=1S/C8H17F2NS/c1-4-7(5-12-3)11-6(2)8(9)10/h6-8,11H,4-5H2,1-3H3
InChIKeyFEDVFSBQRUOFFS-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine (CID 102870099) is N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine is CCC(CSC)NC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine?
The InChIKey is FEDVFSBQRUOFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NS/c1-4-7(5-12-3)11-6(2)8(9)10/h6-8,11H,4-5H2,1-3H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine?
N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine has a molecular weight of 197.29 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 102870099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).