N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline

C11H12F5NS — CID 102868476

IUPACN-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESCC(Nc1ccccc1SCC(F)(F)F)C(F)F
InChIInChI=1S/C11H12F5NS/c1-7(10(12)13)17-8-4-2-3-5-9(8)18-6-11(14,15)16/h2-5,7,10,17H,6H2,1H3
InChIKeyFNSIHPAJRJJPCX-UHFFFAOYSA-N
MW285.28 g/mol
LogP4.41
Rot. Bonds5

About N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline

N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline (PubChem CID 102868476) has the molecular formula C11H12F5NS and a molecular weight of 285.28 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
PubChem CID102868476
Molecular FormulaC11H12F5NS
Molecular Weight285.28 g/mol
Exact Mass285.06
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESCC(Nc1ccccc1SCC(F)(F)F)C(F)F
InChIInChI=1S/C11H12F5NS/c1-7(10(12)13)17-8-4-2-3-5-9(8)18-6-11(14,15)16/h2-5,7,10,17H,6H2,1H3
InChIKeyFNSIHPAJRJJPCX-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline
CID 102868390
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691329
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691388
N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63433281
1-N-methyl-4-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzene-1,4-disulfonamide
CID 46635998
4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
CID 79192003
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43782778
N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]propan-2-amine
CID 153302381
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
1-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)benzene
CID 18741256
3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 62839170

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline (CID 102868476) is N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline is CC(Nc1ccccc1SCC(F)(F)F)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The InChIKey is FNSIHPAJRJJPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NS/c1-7(10(12)13)17-8-4-2-3-5-9(8)18-6-11(14,15)16/h2-5,7,10,17H,6H2,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline has a molecular weight of 285.28 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline is sourced from PubChem (CID 102868476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).