[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine

C7H8F5NS — CID 66523508

IUPAC[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
SMILESNCc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C7H8F5NS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-4H,5,13H2
InChIKeyXEFDRIHZYFHFOJ-UHFFFAOYSA-N
MW233.21 g/mol
LogP3.80
Rot. Bonds2

About [4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine

[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (PubChem CID 66523508) has the molecular formula C7H8F5NS and a molecular weight of 233.21 g/mol. Its IUPAC name is [4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
PubChem CID66523508
Molecular FormulaC7H8F5NS
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC Name[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
SMILESNCc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C7H8F5NS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-4H,5,13H2
InChIKeyXEFDRIHZYFHFOJ-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
The IUPAC name of [4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (CID 66523508) is [4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.
What is the SMILES notation for [4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
The canonical SMILES for [4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is NCc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of [4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
The InChIKey is XEFDRIHZYFHFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-4H,5,13H2.
What are the key properties of [4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine has a molecular weight of 233.21 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is sourced from PubChem (CID 66523508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).