2-[3-(trifluoromethyl)phenyl]sulfinylethanamine

C9H10F3NOS — CID 58684407

IUPAC2-[3-(trifluoromethyl)phenyl]sulfinylethanamine
SMILESNCCS(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NOS/c10-9(11,12)7-2-1-3-8(6-7)15(14)5-4-13/h1-3,6H,4-5,13H2
InChIKeyLDIMGWCGBOOKQV-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.77
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenyl]sulfinylethanamine

2-[3-(trifluoromethyl)phenyl]sulfinylethanamine (PubChem CID 58684407) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfinylethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfinylethanamine
PubChem CID58684407
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfinylethanamine
SMILESNCCS(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NOS/c10-9(11,12)7-2-1-3-8(6-7)15(14)5-4-13/h1-3,6H,4-5,13H2
InChIKeyLDIMGWCGBOOKQV-UHFFFAOYSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24700407
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2-Phenylmethanesulfinylethan-1-amine
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N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide
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2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 71973903
1-[4-(Trifluoromethyl)phenyl]-1lambda6-thia-2-azacyclohexene 1-oxide
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3-(Trifluoromethylsulfonyl)benzylamine
CID 69971943
(Z)-3-fluoro-4-tosylbut-2-en-1-amine
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(Z)-4-((3,5-bis(trifluoromethyl)phenyl)sulfonyl)-3-fluorobut-2-en-1-amine
CID 146317710

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfinylethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfinylethanamine (CID 58684407) is 2-[3-(trifluoromethyl)phenyl]sulfinylethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfinylethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfinylethanamine is NCCS(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfinylethanamine?
The InChIKey is LDIMGWCGBOOKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c10-9(11,12)7-2-1-3-8(6-7)15(14)5-4-13/h1-3,6H,4-5,13H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfinylethanamine?
2-[3-(trifluoromethyl)phenyl]sulfinylethanamine has a molecular weight of 237.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfinylethanamine is sourced from PubChem (CID 58684407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).