N-[2-(trifluoromethylsulfinyl)ethyl]aniline

C9H10F3NOS — CID 135040338

IUPACN-[2-(trifluoromethylsulfinyl)ethyl]aniline
SMILESO=S(CCNc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c10-9(11,12)15(14)7-6-13-8-4-2-1-3-5-8/h1-5,13H,6-7H2
InChIKeyBUVDPCYCRXFHAK-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.37
Rot. Bonds4

About N-[2-(trifluoromethylsulfinyl)ethyl]aniline

N-[2-(trifluoromethylsulfinyl)ethyl]aniline (PubChem CID 135040338) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfinyl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfinyl)ethyl]aniline
PubChem CID135040338
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC NameN-[2-(trifluoromethylsulfinyl)ethyl]aniline
SMILESO=S(CCNc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c10-9(11,12)15(14)7-6-13-8-4-2-1-3-5-8/h1-5,13H,6-7H2
InChIKeyBUVDPCYCRXFHAK-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfinyl)ethyl]aniline?
The IUPAC name of N-[2-(trifluoromethylsulfinyl)ethyl]aniline (CID 135040338) is N-[2-(trifluoromethylsulfinyl)ethyl]aniline.
What is the SMILES notation for N-[2-(trifluoromethylsulfinyl)ethyl]aniline?
The canonical SMILES for N-[2-(trifluoromethylsulfinyl)ethyl]aniline is O=S(CCNc1ccccc1)C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethylsulfinyl)ethyl]aniline?
The InChIKey is BUVDPCYCRXFHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c10-9(11,12)15(14)7-6-13-8-4-2-1-3-5-8/h1-5,13H,6-7H2.
What are the key properties of N-[2-(trifluoromethylsulfinyl)ethyl]aniline?
N-[2-(trifluoromethylsulfinyl)ethyl]aniline has a molecular weight of 237.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfinyl)ethyl]aniline is sourced from PubChem (CID 135040338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).