3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine

C7H14F3NOS — CID 103372584

IUPAC3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine
SMILESCC(C)S(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-5(2)13(12)4-6(3-11)7(8,9)10/h5-6H,3-4,11H2,1-2H3
InChIKeyOPLCSJPCAIHHDI-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.28
Rot. Bonds4

About 3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine

3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine (PubChem CID 103372584) has the molecular formula C7H14F3NOS and a molecular weight of 217.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine
PubChem CID103372584
Molecular FormulaC7H14F3NOS
Molecular Weight217.26 g/mol
Exact Mass217.07
IUPAC Name3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine
SMILESCC(C)S(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-5(2)13(12)4-6(3-11)7(8,9)10/h5-6H,3-4,11H2,1-2H3
InChIKeyOPLCSJPCAIHHDI-UHFFFAOYSA-N
XLogP1.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
3-(3,3,3-Trifluoropropylsulfinyl)propan-1-amine
CID 58684096
2-(2-Aminoethanesulfinyl)-1,1,1-trifluoroethane
CID 58684100
3-(2,2,2-Trifluoroethylsulfinyl)propan-1-amine
CID 58684156
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
3-(3-Fluoropropylsulfinyl)propan-1-amine
CID 58684382
3-(4,4,4-Trifluorobutylsulfonyl)propan-1-amine
CID 58684401
3-(2-Fluoroethylsulfinyl)propan-1-amine
CID 58684411
3-(4,4,4-Trifluorobutylsulfinyl)propan-1-amine
CID 58684519
2-(4-Fluorobutylsulfinyl)ethanamine
CID 58684612
2-(3-Fluoropropylsulfinyl)ethanamine
CID 58684634
3-(2,2-Difluoroethylsulfonyl)propan-1-amine
CID 58684666

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine (CID 103372584) is 3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine is CC(C)S(=O)CC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine?
The InChIKey is OPLCSJPCAIHHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NOS/c1-5(2)13(12)4-6(3-11)7(8,9)10/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine?
3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine has a molecular weight of 217.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine is sourced from PubChem (CID 103372584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).