N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline

C12H10F3NS2 — CID 43676671

IUPACN-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline
SMILESFC(F)(F)Sc1ccccc1NCc1cccs1
InChIInChI=1S/C12H10F3NS2/c13-12(14,15)18-11-6-2-1-5-10(11)16-8-9-4-3-7-17-9/h1-7,16H,8H2
InChIKeyGFPDMMKBZUKIOD-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.97
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline

N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline (PubChem CID 43676671) has the molecular formula C12H10F3NS2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline
PubChem CID43676671
Molecular FormulaC12H10F3NS2
Molecular Weight289.35 g/mol
Exact Mass289.02
IUPAC NameN-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline
SMILESFC(F)(F)Sc1ccccc1NCc1cccs1
InChIInChI=1S/C12H10F3NS2/c13-12(14,15)18-11-6-2-1-5-10(11)16-8-9-4-3-7-17-9/h1-7,16H,8H2
InChIKeyGFPDMMKBZUKIOD-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-(trifluoromethylsulfanyl)aniline
CID 106528325
N-[(4-ethylphenyl)methyl]-2-(trifluoromethylsulfanyl)aniline
CID 43676654
N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)aniline
CID 43676714
2-bromo-6-[[2-(trifluoromethylsulfanyl)anilino]methyl]phenol
CID 61390902
3-chloro-2-[[2-(trifluoromethylsulfanyl)anilino]methyl]phenol
CID 114317962
2-methylsulfanyl-6-(thiophen-2-ylmethylamino)benzonitrile
CID 113385489
3-fluoro-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 60788587
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline
CID 115744120
N-methyl-2-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 43383430
1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethylsulfanyl)aniline
CID 82834612

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline (CID 43676671) is N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline is FC(F)(F)Sc1ccccc1NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline?
The InChIKey is GFPDMMKBZUKIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NS2/c13-12(14,15)18-11-6-2-1-5-10(11)16-8-9-4-3-7-17-9/h1-7,16H,8H2.
What are the key properties of N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline?
N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline has a molecular weight of 289.35 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 43676671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).