2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol

C8H4F6OS — CID 170999264

IUPAC2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol
SMILESFC(F)(F)Oc1ccc(C(F)(F)F)cc1S
InChIInChI=1S/C8H4F6OS/c9-7(10,11)4-1-2-5(6(16)3-4)15-8(12,13)14/h1-3,16H
InChIKeyUAPDWJJVRFGBKV-UHFFFAOYSA-N
MW262.17 g/mol
LogP3.89
Rot. Bonds1

About 2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol

2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol (PubChem CID 170999264) has the molecular formula C8H4F6OS and a molecular weight of 262.17 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol.

Molecular Properties

Compound Name2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol
PubChem CID170999264
Molecular FormulaC8H4F6OS
Molecular Weight262.17 g/mol
Exact Mass261.99
IUPAC Name2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol
SMILESFC(F)(F)Oc1ccc(C(F)(F)F)cc1S
InChIInChI=1S/C8H4F6OS/c9-7(10,11)4-1-2-5(6(16)3-4)15-8(12,13)14/h1-3,16H
InChIKeyUAPDWJJVRFGBKV-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
3-sulfanyl-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 170999358
2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid
CID 170999461
2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide
CID 169302931
2-hydroxy-2-[3-sulfanyl-4-(trifluoromethoxy)phenyl]acetic acid
CID 170999310
1-nitro-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 171028704
2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677
1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118809084
[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172649997
methyl 2-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]acetate
CID 170999571
2-(difluoromethoxy)-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 134617209
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol?
The IUPAC name of 2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol (CID 170999264) is 2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol.
What is the SMILES notation for 2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol?
The canonical SMILES for 2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol is FC(F)(F)Oc1ccc(C(F)(F)F)cc1S.
What is the InChIKey of 2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol?
The InChIKey is UAPDWJJVRFGBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6OS/c9-7(10,11)4-1-2-5(6(16)3-4)15-8(12,13)14/h1-3,16H.
What are the key properties of 2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol?
2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol has a molecular weight of 262.17 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol is sourced from PubChem (CID 170999264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).