[4-(trifluoromethylsulfanyl)phenyl]methanamine

C8H8F3NS — CID 2777875

IUPAC[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESNCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChIKeyLACURGWEZCFLBO-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.76
Rot. Bonds2

About [4-(trifluoromethylsulfanyl)phenyl]methanamine

[4-(trifluoromethylsulfanyl)phenyl]methanamine (PubChem CID 2777875) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is [4-(trifluoromethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethylsulfanyl)phenyl]methanamine
PubChem CID2777875
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESNCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChIKeyLACURGWEZCFLBO-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 151900
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CID 57421
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CID 2760080
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CID 44424446
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CID 118196187
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CID 44568750
CID 44568750
CID 145978898
CID 145978898
CID 118201417
CID 118201417
CID 12842467
CID 12842467
CID 10535094
CID 10535094
CID 19734486
CID 19734486
CID 21620422
CID 21620422

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethylsulfanyl)phenyl]methanamine?
The IUPAC name of [4-(trifluoromethylsulfanyl)phenyl]methanamine (CID 2777875) is [4-(trifluoromethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [4-(trifluoromethylsulfanyl)phenyl]methanamine?
The canonical SMILES for [4-(trifluoromethylsulfanyl)phenyl]methanamine is NCc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethylsulfanyl)phenyl]methanamine?
The InChIKey is LACURGWEZCFLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2.
What are the key properties of [4-(trifluoromethylsulfanyl)phenyl]methanamine?
[4-(trifluoromethylsulfanyl)phenyl]methanamine has a molecular weight of 207.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 2777875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).