[2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite

C7H3F5OS — CID 141441206

IUPAC[2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite
SMILESFCc1c(F)c(S)c(F)c(F)c1OF
InChIInChI=1S/C7H3F5OS/c8-1-2-3(9)7(14)5(11)4(10)6(2)13-12/h14H,1H2
InChIKeyJTJFQKYKLDNGDB-UHFFFAOYSA-N
MW230.16 g/mol
LogP3.13
Rot. Bonds2

About [2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite

[2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite (PubChem CID 141441206) has the molecular formula C7H3F5OS and a molecular weight of 230.16 g/mol. Its IUPAC name is [2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite.

Molecular Properties

Compound Name[2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite
PubChem CID141441206
Molecular FormulaC7H3F5OS
Molecular Weight230.16 g/mol
Exact Mass229.98
IUPAC Name[2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite
SMILESFCc1c(F)c(S)c(F)c(F)c1OF
InChIInChI=1S/C7H3F5OS/c8-1-2-3(9)7(14)5(11)4(10)6(2)13-12/h14H,1H2
InChIKeyJTJFQKYKLDNGDB-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite?
The IUPAC name of [2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite (CID 141441206) is [2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite.
What is the SMILES notation for [2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite?
The canonical SMILES for [2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite is FCc1c(F)c(S)c(F)c(F)c1OF.
What is the InChIKey of [2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite?
The InChIKey is JTJFQKYKLDNGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5OS/c8-1-2-3(9)7(14)5(11)4(10)6(2)13-12/h14H,1H2.
What are the key properties of [2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite?
[2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite has a molecular weight of 230.16 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5-trifluoro-6-(fluoromethyl)-4-sulfanylphenyl] hypofluorite is sourced from PubChem (CID 141441206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).