N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine

C7H15F2NS — CID 167057612

IUPACN-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine
SMILESCSC(C)(C)N(C)CC(F)F
InChIInChI=1S/C7H15F2NS/c1-7(2,11-4)10(3)5-6(8)9/h6H,5H2,1-4H3
InChIKeyYDAROFHAENLNBT-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.28
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine

N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine (PubChem CID 167057612) has the molecular formula C7H15F2NS and a molecular weight of 183.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine
PubChem CID167057612
Molecular FormulaC7H15F2NS
Molecular Weight183.27 g/mol
Exact Mass183.09
IUPAC NameN-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine
SMILESCSC(C)(C)N(C)CC(F)F
InChIInChI=1S/C7H15F2NS/c1-7(2,11-4)10(3)5-6(8)9/h6H,5H2,1-4H3
InChIKeyYDAROFHAENLNBT-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 132011847
2,2,2-trifluoro-N,N-dimethyl-1-propan-2-ylsulfanylethanamine
CID 132029641

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine (CID 167057612) is N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine is CSC(C)(C)N(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine?
The InChIKey is YDAROFHAENLNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NS/c1-7(2,11-4)10(3)5-6(8)9/h6H,5H2,1-4H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine?
N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine has a molecular weight of 183.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine is sourced from PubChem (CID 167057612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).