4-(trifluoromethyl)benzenethiol;pentahydrofluoride

C7H10F8S — CID 175479742

IUPAC4-(trifluoromethyl)benzenethiol;pentahydrofluoride
SMILESF.F.F.F.F.FC(F)(F)c1ccc(S)cc1
InChIInChI=1S/C7H5F3S.5FH/c8-7(9,10)5-1-3-6(11)4-2-5;;;;;/h1-4,11H;5*1H
InChIKeyJXTZQNFKDICRHA-UHFFFAOYSA-N
MW278.21 g/mol
LogP3.76
Rot. Bonds

About 4-(trifluoromethyl)benzenethiol;pentahydrofluoride

4-(trifluoromethyl)benzenethiol;pentahydrofluoride (PubChem CID 175479742) has the molecular formula C7H10F8S and a molecular weight of 278.21 g/mol. Its IUPAC name is 4-(trifluoromethyl)benzenethiol;pentahydrofluoride.

Molecular Properties

Compound Name4-(trifluoromethyl)benzenethiol;pentahydrofluoride
PubChem CID175479742
Molecular FormulaC7H10F8S
Molecular Weight278.21 g/mol
Exact Mass278.04
IUPAC Name4-(trifluoromethyl)benzenethiol;pentahydrofluoride
SMILESF.F.F.F.F.FC(F)(F)c1ccc(S)cc1
InChIInChI=1S/C7H5F3S.5FH/c8-7(9,10)5-1-3-6(11)4-2-5;;;;;/h1-4,11H;5*1H
InChIKeyJXTZQNFKDICRHA-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 53.76
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

CID 154390518
CID 154390518
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
4-(trifluoromethyl)(18F)phenol
CID 71660610
[4-(trifluoromethyl)phenyl]alumane
CID 173025651
1-[chloro-bis[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene
CID 14292463
CID 136728558
CID 136728558
sodium 1-methanidyl-4-(trifluoromethyl)benzene
CID 71382851
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 86099970
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
tris(4-tert-butylbenzenethiol);tris(trifluoromethanesulfonic acid)
CID 171928111

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)benzenethiol;pentahydrofluoride?
The IUPAC name of 4-(trifluoromethyl)benzenethiol;pentahydrofluoride (CID 175479742) is 4-(trifluoromethyl)benzenethiol;pentahydrofluoride.
What is the SMILES notation for 4-(trifluoromethyl)benzenethiol;pentahydrofluoride?
The canonical SMILES for 4-(trifluoromethyl)benzenethiol;pentahydrofluoride is F.F.F.F.F.FC(F)(F)c1ccc(S)cc1.
What is the InChIKey of 4-(trifluoromethyl)benzenethiol;pentahydrofluoride?
The InChIKey is JXTZQNFKDICRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3S.5FH/c8-7(9,10)5-1-3-6(11)4-2-5;;;;;/h1-4,11H;5*1H.
What are the key properties of 4-(trifluoromethyl)benzenethiol;pentahydrofluoride?
4-(trifluoromethyl)benzenethiol;pentahydrofluoride has a molecular weight of 278.21 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)benzenethiol;pentahydrofluoride is sourced from PubChem (CID 175479742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).