3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine

C11H11F6NOS — CID 103372598

IUPAC3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
SMILESNCC(CS(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C11H11F6NOS/c12-10(13,14)7-2-1-3-9(4-7)20(19)6-8(5-18)11(15,16)17/h1-4,8H,5-6,18H2
InChIKeyXRHOAXQNZMJDLZ-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.95
Rot. Bonds4

About 3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine

3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine (PubChem CID 103372598) has the molecular formula C11H11F6NOS and a molecular weight of 319.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
PubChem CID103372598
Molecular FormulaC11H11F6NOS
Molecular Weight319.27 g/mol
Exact Mass319.05
IUPAC Name3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
SMILESNCC(CS(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C11H11F6NOS/c12-10(13,14)7-2-1-3-9(4-7)20(19)6-8(5-18)11(15,16)17/h1-4,8H,5-6,18H2
InChIKeyXRHOAXQNZMJDLZ-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
CID 115478175
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine
CID 115478107
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine
CID 115478128
3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine
CID 115478174
3,3,3-trifluoro-2-[(4-methylsulfonylphenyl)sulfinylmethyl]propan-1-amine
CID 103372592
2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine
CID 115478188
6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine
CID 106808069
CID 53444038
CID 53444038
3-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]aniline
CID 115981205
3-bromo-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]aniline
CID 115478029
2-methyl-N-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]propan-2-amine
CID 115478052
1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine
CID 21391063

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine (CID 103372598) is 3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine is NCC(CS(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine?
The InChIKey is XRHOAXQNZMJDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NOS/c12-10(13,14)7-2-1-3-9(4-7)20(19)6-8(5-18)11(15,16)17/h1-4,8H,5-6,18H2.
What are the key properties of 3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine?
3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine has a molecular weight of 319.27 g/mol, XLogP of 2.95, 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-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine is sourced from PubChem (CID 103372598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).