1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine

C8H9F6NS — CID 118201417

IUPAC1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine
SMILESCC(N)c1ccc(S(F)(F)(F)(F)F)cc1F
InChIInChI=1S/C8H9F6NS/c1-5(15)7-3-2-6(4-8(7)9)16(10,11,12,13)14/h2-5H,15H2,1H3
InChIKeyFSZWQJDCMUIXNS-UHFFFAOYSA-N
MW265.22 g/mol
LogP4.50
Rot. Bonds2

About 1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine

1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine (PubChem CID 118201417) has the molecular formula C8H9F6NS and a molecular weight of 265.22 g/mol. Its IUPAC name is 1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine
PubChem CID118201417
Molecular FormulaC8H9F6NS
Molecular Weight265.22 g/mol
Exact Mass265.04
IUPAC Name1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine
SMILESCC(N)c1ccc(S(F)(F)(F)(F)F)cc1F
InChIInChI=1S/C8H9F6NS/c1-5(15)7-3-2-6(4-8(7)9)16(10,11,12,13)14/h2-5H,15H2,1H3
InChIKeyFSZWQJDCMUIXNS-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine (CID 118201417) is 1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine is CC(N)c1ccc(S(F)(F)(F)(F)F)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine?
The InChIKey is FSZWQJDCMUIXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NS/c1-5(15)7-3-2-6(4-8(7)9)16(10,11,12,13)14/h2-5H,15H2,1H3.
What are the key properties of 1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine?
1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine has a molecular weight of 265.22 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine is sourced from PubChem (CID 118201417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).