N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine

C11H15F3N2S — CID 16785867

IUPACN,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
SMILESCN(C)C(CN)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2S/c1-16(2)10(7-15)8-3-5-9(6-4-8)17-11(12,13)14/h3-6,10H,7,15H2,1-2H3
InChIKeyPRVXCUHNMYUBRQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.86
Rot. Bonds4

About N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine

N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine (PubChem CID 16785867) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
PubChem CID16785867
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC NameN,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
SMILESCN(C)C(CN)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2S/c1-16(2)10(7-15)8-3-5-9(6-4-8)17-11(12,13)14/h3-6,10H,7,15H2,1-2H3
InChIKeyPRVXCUHNMYUBRQ-UHFFFAOYSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine (CID 16785867) is N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine is CN(C)C(CN)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine?
The InChIKey is PRVXCUHNMYUBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-16(2)10(7-15)8-3-5-9(6-4-8)17-11(12,13)14/h3-6,10H,7,15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine?
N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine has a molecular weight of 264.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 16785867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).