2,4,6-trifluorobenzenethiol;pentahydrofluoride

C6H8F8S — CID 173024841

IUPAC2,4,6-trifluorobenzenethiol;pentahydrofluoride
SMILESF.F.F.F.F.Fc1cc(F)c(S)c(F)c1
InChIInChI=1S/C6H3F3S.5FH/c7-3-1-4(8)6(10)5(9)2-3;;;;;/h1-2,10H;5*1H
InChIKeyNRIRPRQQBIDSNV-UHFFFAOYSA-N
MW264.18 g/mol
LogP3.16
Rot. Bonds

About 2,4,6-trifluorobenzenethiol;pentahydrofluoride

2,4,6-trifluorobenzenethiol;pentahydrofluoride (PubChem CID 173024841) has the molecular formula C6H8F8S and a molecular weight of 264.18 g/mol. Its IUPAC name is 2,4,6-trifluorobenzenethiol;pentahydrofluoride.

Molecular Properties

Compound Name2,4,6-trifluorobenzenethiol;pentahydrofluoride
PubChem CID173024841
Molecular FormulaC6H8F8S
Molecular Weight264.18 g/mol
Exact Mass264.02
IUPAC Name2,4,6-trifluorobenzenethiol;pentahydrofluoride
SMILESF.F.F.F.F.Fc1cc(F)c(S)c(F)c1
InChIInChI=1S/C6H3F3S.5FH/c7-3-1-4(8)6(10)5(9)2-3;;;;;/h1-2,10H;5*1H
InChIKeyNRIRPRQQBIDSNV-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trifluorobenzenethiol;tetrahydrofluoride
CID 173125466
2-bromo-4,6-difluorobenzenethiol
CID 50998009
3,5-difluoro-4-sulfanylphenol
CID 45090767
2,6-dichloro-4-fluorobenzenethiol
CID 50998605
3,5-difluoro-4-sulfanylbenzoic acid
CID 63185525
phosphane;1,3,5-trifluoro-2-iodobenzene
CID 175314660
3,5-difluorobenzenethiol;methane;dihydrochloride
CID 174757194
2,5-difluorobenzene-1,4-dithiol
CID 58340204
chloro-tris(2,4,6-trifluorophenyl)silane
CID 57020291
methanol;2,4,6-trifluorophenol
CID 145053745
2,5,7-trifluoro-1-benzothiophene
CID 130786065
(2,3,5-trifluorophenyl)methanethiol
CID 118589493

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluorobenzenethiol;pentahydrofluoride?
The IUPAC name of 2,4,6-trifluorobenzenethiol;pentahydrofluoride (CID 173024841) is 2,4,6-trifluorobenzenethiol;pentahydrofluoride.
What is the SMILES notation for 2,4,6-trifluorobenzenethiol;pentahydrofluoride?
The canonical SMILES for 2,4,6-trifluorobenzenethiol;pentahydrofluoride is F.F.F.F.F.Fc1cc(F)c(S)c(F)c1.
What is the InChIKey of 2,4,6-trifluorobenzenethiol;pentahydrofluoride?
The InChIKey is NRIRPRQQBIDSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3S.5FH/c7-3-1-4(8)6(10)5(9)2-3;;;;;/h1-2,10H;5*1H.
What are the key properties of 2,4,6-trifluorobenzenethiol;pentahydrofluoride?
2,4,6-trifluorobenzenethiol;pentahydrofluoride has a molecular weight of 264.18 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluorobenzenethiol;pentahydrofluoride is sourced from PubChem (CID 173024841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).