2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine

C7H14F3NOS — CID 81200646

IUPAC2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine
SMILESCC(CN)CS(=O)CCC(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-6(4-11)5-13(12)3-2-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyPYFGNYCQSLGHFZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.28
Rot. Bonds5

About 2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine

2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine (PubChem CID 81200646) has the molecular formula C7H14F3NOS and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine
PubChem CID81200646
Molecular FormulaC7H14F3NOS
Molecular Weight217.26 g/mol
Exact Mass217.07
IUPAC Name2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine
SMILESCC(CN)CS(=O)CCC(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-6(4-11)5-13(12)3-2-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyPYFGNYCQSLGHFZ-UHFFFAOYSA-N
XLogP1.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine (CID 81200646) is 2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine is CC(CN)CS(=O)CCC(F)(F)F.
What is the InChIKey of 2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine?
The InChIKey is PYFGNYCQSLGHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NOS/c1-6(4-11)5-13(12)3-2-7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine?
2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine has a molecular weight of 217.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine is sourced from PubChem (CID 81200646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).