2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol

C7H2F6S — CID 139906003

IUPAC2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol
SMILESFc1c(S)cc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C7H2F6S/c8-4-2(7(11,12)13)1-3(14)5(9)6(4)10/h1,14H
InChIKeySYVPOXJESQMICI-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.41
Rot. Bonds

About 2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol

2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol (PubChem CID 139906003) has the molecular formula C7H2F6S and a molecular weight of 232.15 g/mol. Its IUPAC name is 2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol.

Molecular Properties

Compound Name2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol
PubChem CID139906003
Molecular FormulaC7H2F6S
Molecular Weight232.15 g/mol
Exact Mass231.98
IUPAC Name2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol
SMILESFc1c(S)cc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C7H2F6S/c8-4-2(7(11,12)13)1-3(14)5(9)6(4)10/h1,14H
InChIKeySYVPOXJESQMICI-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,3,4-trifluoro-5-(trifluoromethyl)benzene
CID 87725654
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
2,4-dichloro-5-(trifluoromethyl)benzenethiol
CID 121234788
1-chloro-3,4-difluoro-2-(trichloromethyl)-5-(trifluoromethyl)benzene
CID 44717491
1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene
CID 131699534
1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine
CID 59711272
5-amino-2-fluoro-4-(trifluoromethyl)benzenethiol
CID 130934060
4-fluoro-2,3,5-tris(trifluoromethyl)phenol
CID 177310984
3,5-dibromo-2,4-difluorobenzenethiol
CID 121228022
2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169366173
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
2-fluoro-5-iodo-3-(trifluoromethyl)aniline
CID 130970256

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol?
The IUPAC name of 2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol (CID 139906003) is 2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol.
What is the SMILES notation for 2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol?
The canonical SMILES for 2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol is Fc1c(S)cc(C(F)(F)F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol?
The InChIKey is SYVPOXJESQMICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F6S/c8-4-2(7(11,12)13)1-3(14)5(9)6(4)10/h1,14H.
What are the key properties of 2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol?
2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol has a molecular weight of 232.15 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol is sourced from PubChem (CID 139906003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).